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

Systemtic Name: methyl 2-[[(5,7-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-morpholinoethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[2-(4-morpholinyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-5,7-dimethyl-1H-quinolin-3-yl)methyl-(2-morpholinoethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C27H32N4O4S MolecularWeight: 508.63238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCN3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=CC(=C2C=C(C(=O)NC2=C1)CN(CCN3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C27H32N4O4S/c1-18-14-19(2)22-16-20(25(32)28-24(22)15-18)17-31(9-8-30-10-12-35-13-11-30)27(36)29-23-7-5-4-6-21(23)26(33)34-3/h4-7,14-16H,8-13,17H2,1-3H3,(H,28,32)(H,29,36)