methyl 2-[[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCO)C(=S)NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(CCCO)C(=S)NC3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C24H27N3O4S/c1-3-16-9-10-20-17(13-16)14-18(22(29)25-20)15-27(11-6-12-28)24(32)26-21-8-5-4-7-19(21)23(30)31-2/h4-5,7-10,13-14,28H,3,6,11-12,15H2,1-2H3,(H,25,29)(H,26,32)