ethyl 4-[[[(1S)-1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-carbamothioyl]amino]benzoate

Systemtic Name: ethyl 4-[[[(1S)-1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-carbamothioyl]amino]benzoate Openeye Name: ethyl 4-[[[(1S)-1-(2-chlorophenyl)-2-oxo-cyclohexyl]-methyl-carbamothioyl]amino]benzoate CAS Name: 4-[[[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[(1S)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamothioyl]amino]benzoate Traditional Name: 4-[[[(1S)-1-(2-chlorophenyl)-2-keto-cyclohexyl]-methyl-thiocarbamoyl]amino]benzoic acid ethyl ester Formula: C23H25ClN2O3S MolecularWeight: 444.9742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(C)C2(CCCCC2=O)C3=CC=CC=C3Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)N(C)[C@@]2(CCCCC2=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C23H25ClN2O3S/c1-3-29-21(28)16-11-13-17(14-12-16)25-22(30)26(2)23(15-7-6-10-20(23)27)18-8-4-5-9-19(18)24/h4-5,8-9,11-14H,3,6-7,10,15H2,1-2H3,(H,25,30)/t23-/m0/s1