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

Systemtic Name: methyl 2-[[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(phenylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[benzyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(phenylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[benzyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[benzyl-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C28H27N3O5S MolecularWeight: 517.59608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4C(=O)OC)OC

InChI

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