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

Systemtic Name: methyl 2-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[2-cyanoethyl(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[2-cyanoethyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[2-cyanoethyl(3-pyridylmethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C18H18N4O2S MolecularWeight: 354.42612

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=S)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=S)N(CCC#N)CC2=CN=CC=C2

InChI

InChI=1S/C18H18N4O2S/c1-24-17(23)15-7-2-3-8-16(15)21-18(25)22(11-5-9-19)13-14-6-4-10-20-12-14/h2-4,6-8,10,12H,5,11,13H2,1H3,(H,21,25)