ethyl 3-[[2-cyanoethyl(methyl)carbamothioyl]amino]benzoate

Systemtic Name: ethyl 3-[[2-cyanoethyl(methyl)carbamothioyl]amino]benzoate Openeye Name: ethyl 3-[[2-cyanoethyl(methyl)carbamothioyl]amino]benzoate CAS Name: 3-[[[2-cyanoethyl(methyl)amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-cyanoethyl(methyl)carbamothioyl]amino]benzoate Traditional Name: 3-[[2-cyanoethyl(methyl)thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=S)N(C)CCC#N

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=S)N(C)CCC#N

InChI

InChI=1S/C14H17N3O2S/c1-3-19-13(18)11-6-4-7-12(10-11)16-14(20)17(2)9-5-8-15/h4,6-7,10H,3,5,9H2,1-2H3,(H,16,20)