methyl 2-[[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4C(=O)OC)OC

InChI

InChI=1S/C27H26N4O5S/c1-34-23-12-18-11-19(25(32)29-22(18)13-24(23)35-2)16-31(15-17-7-6-10-28-14-17)27(37)30-21-9-5-4-8-20(21)26(33)36-3/h4-14H,15-16H2,1-3H3,(H,29,32)(H,30,37)