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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(2-methylphenyl)thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(o-tolyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(2-methylphenyl)thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-1-(4-fluorophenyl)-3-(2-methylphenyl)thiourea Traditional Name: 1-(4-fluorophenyl)-3-(o-tolyl)-1-piperonyl-thiourea Formula: C22H19FN2O2S MolecularWeight: 394.461863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC=CC=C1NC(=S)N(CC2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H19FN2O2S/c1-15-4-2-3-5-19(15)24-22(28)25(18-9-7-17(23)8-10-18)13-16-6-11-20-21(12-16)27-14-26-20/h2-12H,13-14H2,1H3,(H,24,28)