methyl 2-[[cyclopentyl-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: methyl 2-[[cyclopentyl-[(6,7-dimethoxy-2-oxidanylidene-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: methyl 2-[[cyclopentyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 2-[[[cyclopentyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[cyclopentyl-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 2-[[cyclopentyl-[(2-keto-6,7-dimethoxy-1H-quinolin-3-yl)methyl]thiocarbamoyl]amino]benzoic acid methyl ester Formula: C26H29N3O5S MolecularWeight: 495.59056

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NC4=CC=CC=C4C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=C(C(=O)N2)CN(C3CCCC3)C(=S)NC4=CC=CC=C4C(=O)OC)OC

InChI

InChI=1S/C26H29N3O5S/c1-32-22-13-16-12-17(24(30)27-21(16)14-23(22)33-2)15-29(18-8-4-5-9-18)26(35)28-20-11-7-6-10-19(20)25(31)34-3/h6-7,10-14,18H,4-5,8-9,15H2,1-3H3,(H,27,30)(H,28,35)