1-(3-piperidin-1-ylpropyl)-1-(thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(3-piperidin-1-ylpropyl)-1-(thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-[3-(1-piperidyl)propyl]-1-(2-thienylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-[3-(1-piperidinyl)propyl]-1-(thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(3-piperidin-1-ylpropyl)-1-(thiophen-2-ylmethyl)-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-(3-piperidinopropyl)-1-(2-thenyl)-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C21H26F3N3S2 MolecularWeight: 441.57645

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)CCCN(CC2=CC=CS2)C(=S)NC3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C21H26F3N3S2/c22-21(23,24)17-7-4-8-18(15-17)25-20(28)27(16-19-9-5-14-29-19)13-6-12-26-10-2-1-3-11-26/h4-5,7-9,14-15H,1-3,6,10-13,16H2,(H,25,28)