methyl 2-[[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(6-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6-methoxy-1H-quinolin-3-yl)methyl-p-anisyl-thiocarbamoyl]amino]benzoic acid methyl ester Formula: C28H27N3O5S MolecularWeight: 517.59608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC3=C(C=CC(=C3)OC)NC2=O)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C28H27N3O5S/c1-34-21-10-8-18(9-11-21)16-31(28(37)30-25-7-5-4-6-23(25)27(33)36-3)17-20-14-19-15-22(35-2)12-13-24(19)29-26(20)32/h4-15H,16-17H2,1-3H3,(H,29,32)(H,30,37)