N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methylphenyl)carbonyl-piperidine-1-carbothioamide

Systemtic Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methylphenyl)carbonyl-piperidine-1-carbothioamide Openeye Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methylbenzoyl)piperidine-1-carbothioamide CAS Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-[(4-methylphenyl)-oxomethyl]-1-piperidinecarbothioamide IUPAC Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-(4-methylbenzoyl)piperidine-1-carbothioamide Traditional Name: N-[3,5-bis(trifluoromethyl)phenyl]-4-p-toluoyl-piperidine-1-carbothioamide Formula: C22H20F6N2OS MolecularWeight: 474.462419

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2CCN(CC2)C(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C22H20F6N2OS/c1-13-2-4-14(5-3-13)19(31)15-6-8-30(9-7-15)20(32)29-18-11-16(21(23,24)25)10-17(12-18)22(26,27)28/h2-5,10-12,15H,6-9H2,1H3,(H,29,32)