methyl 2-[[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl-p-anisyl-thiocarbamoyl]amino]benzoic acid methyl ester Formula: C29H29N3O4S MolecularWeight: 515.62326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC=C(C=C3)OC)C(=S)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CC3=CC=C(C=C3)OC)C(=S)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C29H29N3O4S/c1-18-13-19(2)24-15-21(27(33)30-26(24)14-18)17-32(16-20-9-11-22(35-3)12-10-20)29(37)31-25-8-6-5-7-23(25)28(34)36-4/h5-15H,16-17H2,1-4H3,(H,30,33)(H,31,37)