N-(4-phenoxyphenyl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]propanamide

Systemtic Name: N-(4-phenoxyphenyl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]propanamide Openeye Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(4-phenoxyphenyl)propanamide CAS Name: N-(4-phenoxyphenyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]propanamide IUPAC Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[2-(benzylthio)benzimidazol-1-yl]-N-(4-phenoxyphenyl)propionamide Formula: C29H25N3O2S MolecularWeight: 479.5927

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3C4=CC=CC=C4N=C3SCC5=CC=CC=C5

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)OC2=CC=CC=C2)N3C4=CC=CC=C4N=C3SCC5=CC=CC=C5

InChI

InChI=1S/C29H25N3O2S/c1-21(28(33)30-23-16-18-25(19-17-23)34-24-12-6-3-7-13-24)32-27-15-9-8-14-26(27)31-29(32)35-20-22-10-4-2-5-11-22/h2-19,21H,20H2,1H3,(H,30,33)