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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCCN3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CCCN3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C27H32N4O4S/c1-19-8-9-20-17-21(25(32)28-24(20)16-19)18-31(11-5-10-30-12-14-35-15-13-30)27(36)29-23-7-4-3-6-22(23)26(33)34-2/h3-4,6-9,16-17H,5,10-15,18H2,1-2H3,(H,28,32)(H,29,36)