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

Systemtic Name: S-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] 2-acetamido-3-methyl-butanethioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl] 2-acetamido-3-methyl-butanethioate CAS Name: 2-acetamido-3-methylbutanethioic acid S-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] 2-acetamido-3-methylbutanethioate Traditional Name: 2-acetamido-3-methyl-butanethioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl] ester Formula: C25H38N2O3S MolecularWeight: 446.64582

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O3S/c1-17(2)13-16-25(14-9-6-10-15-25)24(30)27-20-11-7-8-12-21(20)31-23(29)22(18(3)4)26-19(5)28/h7-8,11-12,17-18,22H,6,9-10,13-16H2,1-5H3,(H,26,28)(H,27,30)