ethyl 4-[2-(5,8-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(5,8-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(2-keto-5,8-dimethoxy-1H-quinolin-3-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C23H25N3O5S MolecularWeight: 455.5267

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC3=C(C=CC(=C3NC2=O)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC3=C(C=CC(=C3NC2=O)OC)OC

InChI

InChI=1S/C23H25N3O5S/c1-4-31-22(28)14-5-7-16(8-6-14)25-23(32)24-12-11-15-13-17-18(29-2)9-10-19(30-3)20(17)26-21(15)27/h5-10,13H,4,11-12H2,1-3H3,(H,26,27)(H2,24,25,32)