[2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxo-ethyl] 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid [2-[[[(2-methylcyclohexyl)amino]-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(2-methylcyclohexyl)carbamoylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid [2-keto-2-[(2-methylcyclohexyl)carbamoylamino]ethyl] ester Formula: C20H28N2O4S MolecularWeight: 392.51232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)NC(=O)COC(=O)CCSC2=CC=C(C=C2)C

Isomeric SMILES

CC1CCCCC1NC(=O)NC(=O)COC(=O)CCSC2=CC=C(C=C2)C

InChI

InChI=1S/C20H28N2O4S/c1-14-7-9-16(10-8-14)27-12-11-19(24)26-13-18(23)22-20(25)21-17-6-4-3-5-15(17)2/h7-10,15,17H,3-6,11-13H2,1-2H3,(H2,21,22,23,25)