2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-[(1-hexyl-2-benzimidazolyl)thio]-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-[(1-hexylbenzimidazol-2-yl)thio]-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C23H28N4O4S MolecularWeight: 456.55782

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3C)[N+](=O)[O-])OC

Isomeric SMILES

CCCCCCN1C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=C(C=C3C)[N+](=O)[O-])OC

InChI

InChI=1S/C23H28N4O4S/c1-4-5-6-9-12-26-19-11-8-7-10-17(19)25-23(26)32-15-22(28)24-18-14-21(31-3)20(27(29)30)13-16(18)2/h7-8,10-11,13-14H,4-6,9,12,15H2,1-3H3,(H,24,28)