methyl 2-[[2-cyanoethyl(phenyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[2-cyanoethyl(phenyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[2-cyanoethyl(phenyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[N-(2-cyanoethyl)anilino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-cyanoethyl(phenyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[2-cyanoethyl(phenyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C18H17N3O2S MolecularWeight: 339.41148

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C18H17N3O2S/c1-23-17(22)15-10-5-6-11-16(15)20-18(24)21(13-7-12-19)14-8-3-2-4-9-14/h2-6,8-11H,7,13H2,1H3,(H,20,24)