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

Systemtic Name: methyl 2-[[(6-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(2-morpholinoethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-[2-(4-morpholinyl)ethyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl-(2-morpholin-4-ylethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-6-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=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCN3CCOCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

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