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

Systemtic Name: 3-(4-bromophenyl)-1-[(4-ethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 3-(4-bromophenyl)-1-[(4-ethoxyphenyl)methyl]-1-(3-pyridylmethyl)thiourea CAS Name: 3-(4-bromophenyl)-1-[(4-ethoxyphenyl)methyl]-1-(3-pyridinylmethyl)thiourea IUPAC Name: 3-(4-bromophenyl)-1-[(4-ethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 3-(4-bromophenyl)-1-(4-ethoxybenzyl)-1-(3-pyridylmethyl)thiourea Formula: C22H22BrN3OS MolecularWeight: 456.39858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(CC2=CN=CC=C2)C(=S)NC3=CC=C(C=C3)Br

InChI

InChI=1S/C22H22BrN3OS/c1-2-27-21-11-5-17(6-12-21)15-26(16-18-4-3-13-24-14-18)22(28)25-20-9-7-19(23)8-10-20/h3-14H,2,15-16H2,1H3,(H,25,28)