methyl 2-[[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[(4-methoxyphenyl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-p-anisyl-thiocarbamoyl]amino]benzoic acid methyl ester Formula: C29H29N3O6S MolecularWeight: 547.62206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC3=CC(=C(C=C3NC2=O)OC)OC)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C29H29N3O6S/c1-35-21-11-9-18(10-12-21)16-32(29(39)31-23-8-6-5-7-22(23)28(34)38-4)17-20-13-19-14-25(36-2)26(37-3)15-24(19)30-27(20)33/h5-15H,16-17H2,1-4H3,(H,30,33)(H,31,39)