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S-Methyl (E)-anilino([(E)-(4-nitrophenyl)(oxo)methyl]imino)methylthiocarbamate
SpectraBase Compound ID Ho6EAf1dGsi
InChI InChI=1S/C16H14N4O4S/c1-25-16(22)19-15(17-12-5-3-2-4-6-12)18-14(21)11-7-9-13(10-8-11)20(23)24/h2-10H,1H3,(H2,17,18,19,21,22)
InChIKey DOHZUWUXOVKKBH-UHFFFAOYSA-N
Mol Weight 358.37 g/mol
Molecular Formula C16H14N4O4S
Exact Mass 358.073576 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5IVX0MeII25
Name S-Methyl (E)-anilino([(E)-(4-nitrophenyl)(oxo)methyl]imino)methylthiocarbamate
CAS Registry Number 79358-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14N4O4S
InChI InChI=1S/C16H14N4O4S/c1-25-16(22)19-15(17-12-5-3-2-4-6-12)18-14(21)11-7-9-13(10-8-11)20(23)24/h2-10H,1H3,(H2,17,18,19,21,22)
InChIKey DOHZUWUXOVKKBH-UHFFFAOYSA-N
Molecular Weight 358.372 g/mol
SMILES N(\C(=N/C(c1ccc(cc1)N(=O)=O)=O)NC(=O)SC)c1ccccc1
SPLASH splash10-0udi-7903000000-5fd125d5bd668375fc3c
Source of Spectrum HE-1982-0-0
Synonyms (NE)-N-[anilino-[(4-nitrobenzoyl)amino]methylene]thiocarbamic acid S-methyl ester (NE)-N-[anilino-[[(4-nitrophenyl)-oxomethyl]amino]methylidene]carbamothioic acid S-methyl ester (NZ)-N-[anilino-[(4-nitrobenzoyl)amino]methylene]thiocarbamic acid S-methyl ester (NZ)-N-[anilino-[[(4-nitrophenyl)-oxomethyl]amino]methylidene]carbamothioic acid S-methyl ester Carbamothioic acid, [[(4-nitrobenzoyl)amino](phenylamino)methylene]-, S-methyl ester S-methyl (NE)-N-[anilino-[(4-nitrobenzoyl)amino]methylene]carbamothioate S-methyl (NE)-N-[anilino-[(4-nitrobenzoyl)amino]methylidene]carbamothioate S-methyl (NE)-N-[[(4-nitrophenyl)carbonylamino]-phenylazanyl-methylidene]carbamothioate S-methyl (NZ)-N-[anilino-[(4-nitrobenzoyl)amino]methylene]carbamothioate S-methyl (NZ)-N-[anilino-[(4-nitrobenzoyl)amino]methylidene]carbamothioate S-methyl (NZ)-N-[[(4-nitrophenyl)carbonylamino]-phenylazanyl-methylidene]carbamothioate
Wiley ID 1346823