methyl 4-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 4-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 4-[[2-cyanoethyl(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 4-[[[2-cyanoethyl(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-cyanoethyl(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=S)N(CCC#N)CC2=CN=CC=C2

Isomeric SMILES

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

InChI

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