methyl 2-[[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(3-oxidanylpropyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl-(3-hydroxypropyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[3-hydroxypropyl-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C24H27N3O6S MolecularWeight: 485.55268

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NC3=CC=CC=C3C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(CCCO)C(=S)NC3=CC=CC=C3C(=O)OC)OC

InChI

InChI=1S/C24H27N3O6S/c1-31-20-12-15-11-16(22(29)25-19(15)13-21(20)32-2)14-27(9-6-10-28)24(34)26-18-8-5-4-7-17(18)23(30)33-3/h4-5,7-8,11-13,28H,6,9-10,14H2,1-3H3,(H,25,29)(H,26,34)