N-(2,6-diethylphenyl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]propanamide

Systemtic Name: N-(2,6-diethylphenyl)-2-[2-(phenylmethylsulfanyl)benzimidazol-1-yl]propanamide Openeye Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2,6-diethylphenyl)propanamide CAS Name: N-(2,6-diethylphenyl)-2-[2-(phenylmethylthio)-1-benzimidazolyl]propanamide IUPAC Name: 2-(2-benzylsulfanylbenzimidazol-1-yl)-N-(2,6-diethylphenyl)propanamide Traditional Name: 2-[2-(benzylthio)benzimidazol-1-yl]-N-(2,6-diethylphenyl)propionamide Formula: C27H29N3OS MolecularWeight: 443.60366

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)N2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)NC(=O)C(C)N2C3=CC=CC=C3N=C2SCC4=CC=CC=C4

InChI

InChI=1S/C27H29N3OS/c1-4-21-14-11-15-22(5-2)25(21)29-26(31)19(3)30-24-17-10-9-16-23(24)28-27(30)32-18-20-12-7-6-8-13-20/h6-17,19H,4-5,18H2,1-3H3,(H,29,31)