[1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H28N2O4S MolecularWeight: 392.51232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OC(C)C(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C20H28N2O4S/c1-14-8-10-17(11-9-14)27-13-12-18(23)26-15(2)19(24)22-20(25)21-16-6-4-3-5-7-16/h8-11,15-16H,3-7,12-13H2,1-2H3,(H2,21,22,24,25)