4-[methyl-(2-methylcyclohexyl)amino]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide

Systemtic Name: 4-[methyl-(2-methylcyclohexyl)amino]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Openeye Name: 4-[methyl-(2-methylcyclohexyl)amino]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide CAS Name: 4-[methyl-(2-methylcyclohexyl)amino]-N-[3-(trifluoromethyl)phenyl]-1-piperidinecarbothioamide IUPAC Name: 4-[methyl-(2-methylcyclohexyl)amino]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Traditional Name: 4-[methyl-(2-methylcyclohexyl)amino]-N-[3-(trifluoromethyl)phenyl]piperidine-1-carbothioamide Formula: C21H30F3N3S MolecularWeight: 413.54321

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1N(C)C2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

CC1CCCCC1N(C)C2CCN(CC2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H30F3N3S/c1-15-6-3-4-9-19(15)26(2)18-10-12-27(13-11-18)20(28)25-17-8-5-7-16(14-17)21(22,23)24/h5,7-8,14-15,18-19H,3-4,6,9-13H2,1-2H3,(H,25,28)