methyl 2-[[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(7-methoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(2-thienylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl-(2-thenyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C25H23N3O4S2 MolecularWeight: 493.59782

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

COC1=CC2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C25H23N3O4S2/c1-31-18-10-9-16-12-17(23(29)26-22(16)13-18)14-28(15-19-6-5-11-34-19)25(33)27-21-8-4-3-7-20(21)24(30)32-2/h3-13H,14-15H2,1-2H3,(H,26,29)(H,27,33)