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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-[(4-methylphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-(p-tolylmethyl)thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-[(4-methylphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-[(4-methylphenyl)methyl]thiourea Traditional Name: 3-(4-bromophenyl)-1-(4-methylbenzyl)-1-piperonyl-thiourea Formula: C23H21BrN2O2S MolecularWeight: 469.39404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN2O2S/c1-16-2-4-17(5-3-16)13-26(23(29)25-20-9-7-19(24)8-10-20)14-18-6-11-21-22(12-18)28-15-27-21/h2-12H,13-15H2,1H3,(H,25,29)