1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]thiourea

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-[(4-fluorophenyl)methyl]thiourea Traditional Name: 3-(4-bromophenyl)-1-(4-fluorobenzyl)-1-piperonyl-thiourea Formula: C22H18BrFN2O2S MolecularWeight: 473.357923

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=C(C=C3)F)C(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN(CC3=CC=C(C=C3)F)C(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C22H18BrFN2O2S/c23-17-4-8-19(9-5-17)25-22(29)26(12-15-1-6-18(24)7-2-15)13-16-3-10-20-21(11-16)28-14-27-20/h1-11H,12-14H2,(H,25,29)