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

Systemtic Name: methyl 2-[[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[2-(3-methylphenyl)ethyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[2-(m-tolyl)ethyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[2-(3-methylphenyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[2-(3-methylphenyl)ethyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl-[2-(m-tolyl)ethyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CCN(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CCN(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C29H29N3O4S/c1-19-7-6-8-20(15-19)13-14-32(29(37)31-26-10-5-4-9-24(26)28(34)36-3)18-22-16-21-17-23(35-2)11-12-25(21)30-27(22)33/h4-12,15-17H,13-14,18H2,1-3H3,(H,30,33)(H,31,37)