1-(3-methylbutyl)-N-[2-sulfanyl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide

Systemtic Name: 1-(3-methylbutyl)-N-[2-sulfanyl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide Openeye Name: 1-isopentyl-N-[2-sulfanyl-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide CAS Name: N-[2-mercapto-5-(trifluoromethyl)phenyl]-1-(3-methylbutyl)-1-cyclohexanecarboxamide IUPAC Name: 1-(3-methylbutyl)-N-[2-sulfanyl-5-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide Traditional Name: 1-isoamyl-N-[2-mercapto-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide Formula: C19H26F3NOS MolecularWeight: 373.47605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC1(CCCCC1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)S

Isomeric SMILES

CC(C)CCC1(CCCCC1)C(=O)NC2=C(C=CC(=C2)C(F)(F)F)S

InChI

InChI=1S/C19H26F3NOS/c1-13(2)8-11-18(9-4-3-5-10-18)17(24)23-15-12-14(19(20,21)22)6-7-16(15)25/h6-7,12-13,25H,3-5,8-11H2,1-2H3,(H,23,24)