ethyl 4-[2-(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate

Systemtic Name: ethyl 4-[2-(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate Openeye Name: ethyl 4-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate CAS Name: 4-[[[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethylcarbamothioylamino]benzoate Traditional Name: 4-[2-(2-keto-7,8-dimethyl-1H-quinolin-3-yl)ethylthiocarbamoylamino]benzoic acid ethyl ester Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC3=C(C(=C(C=C3)C)C)NC2=O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NCCC2=CC3=C(C(=C(C=C3)C)C)NC2=O

InChI

InChI=1S/C23H25N3O3S/c1-4-29-22(28)16-7-9-19(10-8-16)25-23(30)24-12-11-18-13-17-6-5-14(2)15(3)20(17)26-21(18)27/h5-10,13H,4,11-12H2,1-3H3,(H,26,27)(H2,24,25,30)