ethyl 4-[[cyclopentyl-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[cyclopentyl-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[cyclopentyl-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]carbamothioyl]amino]benzoate CAS Name: 4-[[[cyclopentyl-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[cyclopentyl-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]carbamothioyl]amino]benzoate Traditional Name: 4-[[cyclopentyl-[(1-ethyl-3,4-dihydro-2H-quinolin-6-yl)methyl]thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C27H35N3O2S MolecularWeight: 465.6507

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCCC2=C1C=CC(=C2)CN(C3CCCC3)C(=S)NC4=CC=C(C=C4)C(=O)OCC

Isomeric SMILES

CCN1CCCC2=C1C=CC(=C2)CN(C3CCCC3)C(=S)NC4=CC=C(C=C4)C(=O)OCC

InChI

InChI=1S/C27H35N3O2S/c1-3-29-17-7-8-22-18-20(11-16-25(22)29)19-30(24-9-5-6-10-24)27(33)28-23-14-12-21(13-15-23)26(31)32-4-2/h11-16,18,24H,3-10,17,19H2,1-2H3,(H,28,33)