methyl 2-[[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholinopropyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-[3-(4-morpholinyl)propyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-morpholin-4-ylpropyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl-(3-morpholinopropyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C28H34N4O4S MolecularWeight: 522.65896

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCCN3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CCCN3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C28H34N4O4S/c1-19-9-10-21-17-22(26(33)30-25(21)20(19)2)18-32(12-6-11-31-13-15-36-16-14-31)28(37)29-24-8-5-4-7-23(24)27(34)35-3/h4-5,7-10,17H,6,11-16,18H2,1-3H3,(H,29,37)(H,30,33)