methyl 2-[[cyclopentyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[cyclopentyl-[(6-ethyl-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclopentyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclopentyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclopentyl-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclopentyl-[(6-ethyl-2-keto-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=O)C(=C2)CN(C3CCCC3)C(=S)NC4=CC=CC=C4C(=O)OC

InChI

InChI=1S/C26H29N3O3S/c1-3-17-12-13-22-18(14-17)15-19(24(30)27-22)16-29(20-8-4-5-9-20)26(33)28-23-11-7-6-10-21(23)25(31)32-2/h6-7,10-15,20H,3-5,8-9,16H2,1-2H3,(H,27,30)(H,28,33)