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

Systemtic Name: 3-(4-bromophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(4-bromophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-(4-bromophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(4-bromophenyl)-1-[(3,4-dimethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(4-bromophenyl)-1-(3-pyridylmethyl)-1-veratryl-thiourea Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C22H22BrN3O2S/c1-27-20-10-5-16(12-21(20)28-2)14-26(15-17-4-3-11-24-13-17)22(29)25-19-8-6-18(23)7-9-19/h3-13H,14-15H2,1-2H3,(H,25,29)