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

Systemtic Name: 2-chloranyl-2-[2-[[1-(3-methylbutyl)cyclohexyl]carbonylamino]phenyl]ethanethioic S-acid Openeye Name: 2-chloro-2-[2-[(1-isopentylcyclohexanecarbonyl)amino]phenyl]ethanethioic S-acid CAS Name: 2-chloro-2-[2-[[[1-(3-methylbutyl)cyclohexyl]-oxomethyl]amino]phenyl]ethanethioic S-acid IUPAC Name: 2-chloro-2-[2-[[1-(3-methylbutyl)cyclohexanecarbonyl]amino]phenyl]ethanethioic S-acid Traditional Name: 2-chloro-2-[2-[(1-isoamylcyclohexanecarbonyl)amino]phenyl]thioacetic acid Formula: C20H28ClNO2S MolecularWeight: 381.95982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28ClNO2S/c1-14(2)10-13-20(11-6-3-7-12-20)19(24)22-16-9-5-4-8-15(16)17(21)18(23)25/h4-5,8-9,14,17H,3,6-7,10-13H2,1-2H3,(H,22,24)(H,23,25)