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

Systemtic Name: 3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(4-bromophenyl)-1-[(2-methoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(4-bromophenyl)-1-o-anisyl-1-(3-pyridylmethyl)thiourea Formula: C21H20BrN3OS MolecularWeight: 442.372

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

COC1=CC=CC=C1CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H20BrN3OS/c1-26-20-7-3-2-6-17(20)15-25(14-16-5-4-12-23-13-16)21(27)24-19-10-8-18(22)9-11-19/h2-13H,14-15H2,1H3,(H,24,27)