S-[4-methyl-2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] ethanethioate

Systemtic Name: S-[4-methyl-2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl] ethanethioate Openeye Name: S-[2-[(1-isopentylcyclohexanecarbonyl)amino]-4-methyl-phenyl] ethanethioate CAS Name: ethanethioic acid S-[4-methyl-2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl] ester IUPAC Name: S-[4-methyl-2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl] ethanethioate Traditional Name: ethanethioic acid S-[2-[(1-isoamylcyclohexanecarbonyl)amino]-4-methyl-phenyl] ester Formula: C21H31NO2S MolecularWeight: 361.54134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SC(=O)C)NC(=O)C2(CCCCC2)CCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SC(=O)C)NC(=O)C2(CCCCC2)CCC(C)C

InChI

InChI=1S/C21H31NO2S/c1-15(2)10-13-21(11-6-5-7-12-21)20(24)22-18-14-16(3)8-9-19(18)25-17(4)23/h8-9,14-15H,5-7,10-13H2,1-4H3,(H,22,24)