N-(3-nitrophenyl)-2-(2-pentylsulfanylbenzimidazol-1-yl)ethanamide

Systemtic Name: N-(3-nitrophenyl)-2-(2-pentylsulfanylbenzimidazol-1-yl)ethanamide Openeye Name: N-(3-nitrophenyl)-2-(2-pentylsulfanylbenzimidazol-1-yl)acetamide CAS Name: N-(3-nitrophenyl)-2-[2-(pentylthio)-1-benzimidazolyl]acetamide IUPAC Name: N-(3-nitrophenyl)-2-(2-pentylsulfanylbenzimidazol-1-yl)acetamide Traditional Name: 2-[2-(amylthio)benzimidazol-1-yl]-N-(3-nitrophenyl)acetamide Formula: C20H22N4O3S MolecularWeight: 398.47868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCSC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCSC1=NC2=CC=CC=C2N1CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O3S/c1-2-3-6-12-28-20-22-17-10-4-5-11-18(17)23(20)14-19(25)21-15-8-7-9-16(13-15)24(26)27/h4-5,7-11,13H,2-3,6,12,14H2,1H3,(H,21,25)