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

Systemtic Name: methyl 2-[[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-morpholinoethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-[2-(4-morpholinyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl-(2-morpholinoethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C27H32N4O6S MolecularWeight: 540.63118

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCN3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCN3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC)OC

InChI

InChI=1S/C27H32N4O6S/c1-34-23-15-18-14-19(25(32)28-22(18)16-24(23)35-2)17-31(9-8-30-10-12-37-13-11-30)27(38)29-21-7-5-4-6-20(21)26(33)36-3/h4-7,14-16H,8-13,17H2,1-3H3,(H,28,32)(H,29,38)