methyl 4-[[[(1R)-1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-carbamothioyl]amino]butanoate

Systemtic Name: methyl 4-[[[(1R)-1-(2-chlorophenyl)-2-oxidanylidene-cyclohexyl]-methyl-carbamothioyl]amino]butanoate Openeye Name: methyl 4-[[[(1R)-1-(2-chlorophenyl)-2-oxo-cyclohexyl]-methyl-carbamothioyl]amino]butanoate CAS Name: 4-[[[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylamino]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[(1R)-1-(2-chlorophenyl)-2-oxocyclohexyl]-methylcarbamothioyl]amino]butanoate Traditional Name: 4-[[[(1R)-1-(2-chlorophenyl)-2-keto-cyclohexyl]-methyl-thiocarbamoyl]amino]butyric acid methyl ester Formula: C19H25ClN2O3S MolecularWeight: 396.9314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=S)NCCCC(=O)OC)C1(CCCCC1=O)C2=CC=CC=C2Cl

Isomeric SMILES

CN(C(=S)NCCCC(=O)OC)[C@]1(CCCCC1=O)C2=CC=CC=C2Cl

InChI

InChI=1S/C19H25ClN2O3S/c1-22(18(26)21-13-7-11-17(24)25-2)19(12-6-5-10-16(19)23)14-8-3-4-9-15(14)20/h3-4,8-9H,5-7,10-13H2,1-2H3,(H,21,26)/t19-/m1/s1