methyl 2-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(2-morpholinoethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-[2-(4-morpholinyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-8-methyl-1H-quinolin-3-yl)methyl-(2-morpholinoethyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C26H30N4O4S/c1-18-6-5-7-19-16-20(24(31)28-23(18)19)17-30(11-10-29-12-14-34-15-13-29)26(35)27-22-9-4-3-8-21(22)25(32)33-2/h3-9,16H,10-15,17H2,1-2H3,(H,27,35)(H,28,31)