2-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl]propanethioic S-acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2C(C)C(=O)S

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=CC=CC=C2C(C)C(=O)S

InChI

InChI=1S/C21H31NO2S/c1-15(2)11-14-21(12-7-4-8-13-21)20(24)22-18-10-6-5-9-17(18)16(3)19(23)25/h5-6,9-10,15-16H,4,7-8,11-14H2,1-3H3,(H,22,24)(H,23,25)