3-(4-bromophenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)thiourea

Systemtic Name: 3-(4-bromophenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)thiourea Openeye Name: 3-(4-bromophenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-(2-furylmethyl)thiourea CAS Name: 3-(4-bromophenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-(2-furanylmethyl)thiourea IUPAC Name: 3-(4-bromophenyl)-1-[(2,3-dimethoxyphenyl)methyl]-1-(furan-2-ylmethyl)thiourea Traditional Name: 3-(4-bromophenyl)-1-(2-furfuryl)-1-o-veratryl-thiourea Formula: C21H21BrN2O3S MolecularWeight: 461.37204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC(=C1OC)CN(CC2=CC=CO2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H21BrN2O3S/c1-25-19-7-3-5-15(20(19)26-2)13-24(14-18-6-4-12-27-18)21(28)23-17-10-8-16(22)9-11-17/h3-12H,13-14H2,1-2H3,(H,23,28)