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

Systemtic Name: methyl 2-[[(6,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[benzyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[benzyl-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[benzyl-[(2-keto-6,8-dimethyl-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C28H27N3O3S MolecularWeight: 485.59728

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27N3O3S/c1-18-13-19(2)25-21(14-18)15-22(26(32)30-25)17-31(16-20-9-5-4-6-10-20)28(35)29-24-12-8-7-11-23(24)27(33)34-3/h4-15H,16-17H2,1-3H3,(H,29,35)(H,30,32)