1-(4-piperidin-1-ylsulfonylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(4-piperidin-1-ylsulfonylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-[4-(1-piperidylsulfonyl)phenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-[4-(1-piperidinylsulfonyl)phenyl]-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-(4-piperidin-1-ylsulfonylphenyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-(4-piperidinosulfonylphenyl)-3-[4-(trifluoromethyl)benzyl]thiourea Formula: C20H22F3N3O2S2 MolecularWeight: 457.53279

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)NCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H22F3N3O2S2/c21-20(22,23)16-6-4-15(5-7-16)14-24-19(29)25-17-8-10-18(11-9-17)30(27,28)26-12-2-1-3-13-26/h4-11H,1-3,12-14H2,(H2,24,25,29)