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N-(1,3-Benzothiazol-2-yl)-N'-(4-methylbenzoyl)thiourea
SpectraBase Compound ID 1W58TNAhsgz
InChI InChI=1S/C16H13N3OS2/c1-10-6-8-11(9-7-10)14(20)18-15(21)19-16-17-12-4-2-3-5-13(12)22-16/h2-9H,1H3,(H2,17,18,19,20,21)
InChIKey VBJVBDPIAKFNNN-UHFFFAOYSA-N
Mol Weight 327.42 g/mol
Molecular Formula C16H13N3OS2
Exact Mass 327.050004 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 47GxvJhlLOR
Name N-(1,3-Benzothiazol-2-yl)-N'-(4-methylbenzoyl)thiourea
CAS Registry Number 131120-12-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13N3OS2
InChI InChI=1S/C16H13N3OS2/c1-10-6-8-11(9-7-10)14(20)18-15(21)19-16-17-12-4-2-3-5-13(12)22-16/h2-9H,1H3,(H2,17,18,19,20,21)
InChIKey VBJVBDPIAKFNNN-UHFFFAOYSA-N
Molecular Weight 327.420 g/mol
SMILES N(C(NC(c1ccc(cc1)C)=O)=S)c1nc2ccccc2s1
SPLASH splash10-014l-4901000000-d67367ed49bc2ca06d83
Synonyms 1-Benzothiazol-2-yl-3-(4-methyl-benzoyl)-thiourea N-(1,3-benzothiazol-2-ylcarbamothioyl)-4-methyl-benzamide N-(1,3-benzothiazol-2-ylthiocarbamoyl)-4-methyl-benzamide N-[(1,3-benzothiazol-2-ylamino)-sulfanylidenemethyl]-4-methylbenzamide
Wiley ID 1462474