1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[[4-(trifluoromethyl)phenyl]methyl]thiourea Traditional Name: 1-piperonyl-3-[4-(trifluoromethyl)benzyl]thiourea Formula: C17H15F3N2O2S MolecularWeight: 368.37341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C17H15F3N2O2S/c18-17(19,20)13-4-1-11(2-5-13)8-21-16(25)22-9-12-3-6-14-15(7-12)24-10-23-14/h1-7H,8-10H2,(H2,21,22,25)