1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)-1-(4-fluorophenyl)thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)-1-(4-fluorophenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)-1-(4-fluorophenyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)-1-(4-fluorophenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(2-chlorophenyl)-1-(4-fluorophenyl)thiourea Traditional Name: 3-(2-chlorophenyl)-1-(4-fluorophenyl)-1-piperonyl-thiourea Formula: C21H16ClFN2O2S MolecularWeight: 414.880343

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(C3=CC=C(C=C3)F)C(=S)NC4=CC=CC=C4Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(C3=CC=C(C=C3)F)C(=S)NC4=CC=CC=C4Cl

InChI

InChI=1S/C21H16ClFN2O2S/c22-17-3-1-2-4-18(17)24-21(28)25(16-8-6-15(23)7-9-16)12-14-5-10-19-20(11-14)27-13-26-19/h1-11H,12-13H2,(H,24,28)