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2-Chloranyl-N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide
SpectraBase Compound ID 5VaTR862k5u
InChI InChI=1S/C19H19ClN4O3S/c1-12-10-17(24(26)27)16(23-8-4-5-9-23)11-15(12)21-19(28)22-18(25)13-6-2-3-7-14(13)20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,21,22,25,28)
InChIKey UYASTMZOITYBAK-UHFFFAOYSA-N
Mol Weight 418.9 g/mol
Molecular Formula C19H19ClN4O3S
Exact Mass 418.086639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4LtdZmuekS
Name 2-Chloranyl-N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H19ClN4O3S
InChI InChI=1S/C19H19ClN4O3S/c1-12-10-17(24(26)27)16(23-8-4-5-9-23)11-15(12)21-19(28)22-18(25)13-6-2-3-7-14(13)20/h2-3,6-7,10-11H,4-5,8-9H2,1H3,(H2,21,22,25,28)
InChIKey UYASTMZOITYBAK-UHFFFAOYSA-N
Molecular Weight 418.899 g/mol
SMILES N(C(NC(c1c(Cl)cccc1)=O)=S)c1c(cc(N(=O)=O)c(c1)N1CCCC1)C
SPLASH splash10-01p5-6940000000-496acda60b1674edcaf0
Synonyms 2-Chloro-N-[(2-methyl-4-nitro-5-pyrrolidin-1-yl-phenyl)carbamothioyl]benzamide 2-Chloro-N-[(2-methyl-4-nitro-5-pyrrolidino-phenyl)thiocarbamoyl]benzamide 2-Chloro-N-[[2-methyl-4-nitro-5-(1-pyrrolidinyl)anilino]-sulfanylidenemethyl]benzamide
Wiley ID 1463997