[2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: [2-(cyclohexylcarbamoylamino)-2-oxidanylidene-ethyl] 2-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-2-oxo-ethyl] 2-[2-(4-methylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 2-[[2-(4-methylanilino)-2-oxoethyl]thio]propanoic acid [2-[[(cyclohexylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclohexylcarbamoylamino)-2-oxoethyl] 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: 2-[[2-keto-2-(p-toluidino)ethyl]thio]propionic acid [2-(cyclohexylcarbamoylamino)-2-keto-ethyl] ester Formula: C21H29N3O5S MolecularWeight: 435.53706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OCC(=O)NC(=O)NC2CCCCC2

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)OCC(=O)NC(=O)NC2CCCCC2

InChI

InChI=1S/C21H29N3O5S/c1-14-8-10-17(11-9-14)22-19(26)13-30-15(2)20(27)29-12-18(25)24-21(28)23-16-6-4-3-5-7-16/h8-11,15-16H,3-7,12-13H2,1-2H3,(H,22,26)(H2,23,24,25,28)