methyl 2-[[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[(7,8-dimethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(2-thienylmethyl)carbamothioyl]amino]benzoate CAS Name: 2-[[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl-(thiophen-2-ylmethyl)carbamothioyl]amino]benzoate Traditional Name: 2-[[(2-keto-7,8-dimethyl-1H-quinolin-3-yl)methyl-(2-thenyl)thiocarbamoyl]amino]benzoic acid methyl ester Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NC4=CC=CC=C4C(=O)OC)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C=C(C(=O)N2)CN(CC3=CC=CS3)C(=S)NC4=CC=CC=C4C(=O)OC)C

InChI

InChI=1S/C26H25N3O3S2/c1-16-10-11-18-13-19(24(30)28-23(18)17(16)2)14-29(15-20-7-6-12-34-20)26(33)27-22-9-5-4-8-21(22)25(31)32-3/h4-13H,14-15H2,1-3H3,(H,27,33)(H,28,30)