N-(3-methoxyphenyl)-2-[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]ethanamide

Systemtic Name: N-(3-methoxyphenyl)-2-[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]ethanamide Openeye Name: 2-(2-isopentylsulfanylbenzimidazol-1-yl)-N-(3-methoxyphenyl)acetamide CAS Name: N-(3-methoxyphenyl)-2-[2-(3-methylbutylthio)-1-benzimidazolyl]acetamide IUPAC Name: N-(3-methoxyphenyl)-2-[2-(3-methylbutylsulfanyl)benzimidazol-1-yl]acetamide Traditional Name: 2-[2-(isoamylthio)benzimidazol-1-yl]-N-(3-methoxyphenyl)acetamide Formula: C21H25N3O2S MolecularWeight: 383.5071

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)OC

Isomeric SMILES

CC(C)CCSC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)OC

InChI

InChI=1S/C21H25N3O2S/c1-15(2)11-12-27-21-23-18-9-4-5-10-19(18)24(21)14-20(25)22-16-7-6-8-17(13-16)26-3/h4-10,13,15H,11-12,14H2,1-3H3,(H,22,25)