3-[5-chloranyl-2-(trifluoromethyl)phenyl]-1-(1-methylpiperidin-4-yl)-1-phenethyl-thiourea

Systemtic Name: 3-[5-chloranyl-2-(trifluoromethyl)phenyl]-1-(1-methylpiperidin-4-yl)-1-phenethyl-thiourea Openeye Name: 3-[5-chloro-2-(trifluoromethyl)phenyl]-1-(1-methyl-4-piperidyl)-1-phenethyl-thiourea CAS Name: 3-[5-chloro-2-(trifluoromethyl)phenyl]-1-(1-methyl-4-piperidinyl)-1-phenethylthiourea IUPAC Name: 3-[5-chloro-2-(trifluoromethyl)phenyl]-1-(1-methylpiperidin-4-yl)-1-phenethylthiourea Traditional Name: 3-[5-chloro-2-(trifluoromethyl)phenyl]-1-(1-methyl-4-piperidyl)-1-phenethyl-thiourea Formula: C22H25ClF3N3S MolecularWeight: 455.96721

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(CCC2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)Cl)C(F)(F)F

Isomeric SMILES

CN1CCC(CC1)N(CCC2=CC=CC=C2)C(=S)NC3=C(C=CC(=C3)Cl)C(F)(F)F

InChI

InChI=1S/C22H25ClF3N3S/c1-28-12-10-18(11-13-28)29(14-9-16-5-3-2-4-6-16)21(30)27-20-15-17(23)7-8-19(20)22(24,25)26/h2-8,15,18H,9-14H2,1H3,(H,27,30)