S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-acetamido-4-methylsulfanyl-butanethioate

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-acetamido-4-methylsulfanyl-butanethioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2-acetamido-4-methylsulfanyl-butanethioate CAS Name: 2-acetamido-4-(methylthio)butanethioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-acetamido-4-methylsulfanylbutanethioate Traditional Name: 2-acetamido-4-(methylthio)butanethioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C25H38N2O3S2 MolecularWeight: 478.71082

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(CCSC)NC(=O)C

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2SC(=O)C(CCSC)NC(=O)C

InChI

InChI=1S/C25H38N2O3S2/c1-18(2)12-16-25(14-8-5-9-15-25)24(30)27-20-10-6-7-11-22(20)32-23(29)21(13-17-31-4)26-19(3)28/h6-7,10-11,18,21H,5,8-9,12-17H2,1-4H3,(H,26,28)(H,27,30)