methyl 4-[[2-cyanoethyl(methyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 4-[[2-cyanoethyl(methyl)carbamothioyl]amino]benzoate Openeye Name: methyl 4-[[2-cyanoethyl(methyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[2-cyanoethyl(methyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-cyanoethyl(methyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[2-cyanoethyl(methyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=S)NC1=CC=C(C=C1)C(=O)OC

Isomeric SMILES

CN(CCC#N)C(=S)NC1=CC=C(C=C1)C(=O)OC

InChI

InChI=1S/C13H15N3O2S/c1-16(9-3-8-14)13(19)15-11-6-4-10(5-7-11)12(17)18-2/h4-7H,3,9H2,1-2H3,(H,15,19)