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

Systemtic Name: 1-[(4-bromophenyl)methyl]-3-(2-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Openeye Name: 1-[(4-bromophenyl)methyl]-3-(2-ethoxyphenyl)-1-(3-pyridylmethyl)thiourea CAS Name: 1-[(4-bromophenyl)methyl]-3-(2-ethoxyphenyl)-1-(3-pyridinylmethyl)thiourea IUPAC Name: 1-[(4-bromophenyl)methyl]-3-(2-ethoxyphenyl)-1-(pyridin-3-ylmethyl)thiourea Traditional Name: 1-(4-bromobenzyl)-3-o-phenetyl-1-(3-pyridylmethyl)thiourea Formula: C22H22BrN3OS MolecularWeight: 456.39858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)Br)CC3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=CC=C1NC(=S)N(CC2=CC=C(C=C2)Br)CC3=CN=CC=C3

InChI

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