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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)Br)CC3=CN=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=S)N(CC2=CC=C(C=C2)Br)CC3=CN=CC=C3

InChI

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