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

Systemtic Name: 1-[(3-bromophenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(3-bromophenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(3-bromophenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(3-bromophenyl)methyl]-3-(2,4-dimethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(3-bromobenzyl)-3-(2,4-dimethoxyphenyl)-1-(3-pyridylmethyl)thiourea Formula: C22H22BrN3O2S MolecularWeight: 472.39798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)N(CC2=CC(=CC=C2)Br)CC3=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)N(CC2=CC(=CC=C2)Br)CC3=CN=CC=C3)OC

InChI

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