1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-fluorophenyl)ethyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-fluorophenyl)ethyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-fluorophenyl)ethyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-fluorophenyl)ethyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-fluorophenyl)ethyl]thiourea Traditional Name: 1-[2-(4-fluorophenyl)ethyl]-3-piperonyl-thiourea Formula: C17H17FN2O2S MolecularWeight: 332.392483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCC3=CC=C(C=C3)F

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=S)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C17H17FN2O2S/c18-14-4-1-12(2-5-14)7-8-19-17(23)20-10-13-3-6-15-16(9-13)22-11-21-15/h1-6,9H,7-8,10-11H2,(H2,19,20,23)