methyl 2-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(8-methyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(2-thienylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-8-methyl-1H-quinolin-3-yl)methyl-(2-thenyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C25H23N3O3S2 MolecularWeight: 477.59842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=CS3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CC1=CC=CC2=C1NC(=O)C(=C2)CN(CC3=CC=CS3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H23N3O3S2/c1-16-7-5-8-17-13-18(23(29)27-22(16)17)14-28(15-19-9-6-12-33-19)25(32)26-21-11-4-3-10-20(21)24(30)31-2/h3-13H,14-15H2,1-2H3,(H,26,32)(H,27,29)