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

Systemtic Name: methyl 2-[[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[2-(2-methylphenyl)ethyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[2-(o-tolyl)ethyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[2-(2-methylphenyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[2-(2-methylphenyl)ethyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-[2-(o-tolyl)ethyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C30H31N3O5S MolecularWeight: 545.64924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1CCN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C30H31N3O5S/c1-19-9-5-6-10-20(19)13-14-33(30(39)32-24-12-8-7-11-23(24)29(35)38-4)18-22-15-21-16-26(36-2)27(37-3)17-25(21)31-28(22)34/h5-12,15-17H,13-14,18H2,1-4H3,(H,31,34)(H,32,39)