methyl 2-[[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-pyridinylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(pyridin-3-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl-(3-pyridylmethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C=C(C(=O)N2)CN(CC3=CN=CC=C3)C(=S)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C27H26N4O3S/c1-17-11-18(2)24-20(12-17)13-21(25(32)30-24)16-31(15-19-7-6-10-28-14-19)27(35)29-23-9-5-4-8-22(23)26(33)34-3/h4-14H,15-16H2,1-3H3,(H,29,35)(H,30,32)