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

Systemtic Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]thiourea Openeye Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]thiourea CAS Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]thiourea IUPAC Name: 1-(1,3-benzodioxol-5-ylmethyl)-3-(4-bromophenyl)-1-[(4-methoxyphenyl)methyl]thiourea Traditional Name: 3-(4-bromophenyl)-1-p-anisyl-1-piperonyl-thiourea Formula: C23H21BrN2O3S MolecularWeight: 485.39344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)CN(CC2=CC3=C(C=C2)OCO3)C(=S)NC4=CC=C(C=C4)Br

InChI

InChI=1S/C23H21BrN2O3S/c1-27-20-9-2-16(3-10-20)13-26(23(30)25-19-7-5-18(24)6-8-19)14-17-4-11-21-22(12-17)29-15-28-21/h2-12H,13-15H2,1H3,(H,25,30)