1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-cyclopentyl-3-[3-(trifluoromethyl)phenyl]thiourea Traditional Name: 1-cyclopentyl-1-piperonyl-3-[3-(trifluoromethyl)phenyl]thiourea Formula: C21H21F3N2O2S MolecularWeight: 422.46385

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CCC(C1)N(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O2S/c22-21(23,24)15-4-3-5-16(11-15)25-20(29)26(17-6-1-2-7-17)12-14-8-9-18-19(10-14)28-13-27-18/h3-5,8-11,17H,1-2,6-7,12-13H2,(H,25,29)