ethyl 4-[[(2-chlorophenyl)methyl-cyclopentyl-carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[(2-chlorophenyl)methyl-cyclopentyl-carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[(2-chlorophenyl)methyl-cyclopentyl-carbamothioyl]amino]benzoate CAS Name: 4-[[[(2-chlorophenyl)methyl-cyclopentylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2-chlorophenyl)methyl-cyclopentylcarbamothioyl]amino]benzoate Traditional Name: 4-[[(2-chlorobenzyl)-cyclopentyl-thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C22H25ClN2O2S MolecularWeight: 416.9641

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2Cl)C3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(CC2=CC=CC=C2Cl)C3CCCC3

InChI

InChI=1S/C22H25ClN2O2S/c1-2-27-21(26)16-11-13-18(14-12-16)24-22(28)25(19-8-4-5-9-19)15-17-7-3-6-10-20(17)23/h3,6-7,10-14,19H,2,4-5,8-9,15H2,1H3,(H,24,28)