N-(4-morpholin-4-ylphenyl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-morpholin-4-ylphenyl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-ethanamide Openeye Name: N-(4-morpholinophenyl)-2-(5-nitro-1-phenyl-benzimidazol-2-yl)sulfanyl-acetamide CAS Name: N-[4-(4-morpholinyl)phenyl]-2-[(5-nitro-1-phenyl-2-benzimidazolyl)thio]acetamide IUPAC Name: N-(4-morpholin-4-ylphenyl)-2-(5-nitro-1-phenylbenzimidazol-2-yl)sulfanylacetamide Traditional Name: N-(4-morpholinophenyl)-2-[(5-nitro-1-phenyl-benzimidazol-2-yl)thio]acetamide Formula: C25H23N5O4S MolecularWeight: 489.54622

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(N3C5=CC=CC=C5)C=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=CC=C(C=C2)NC(=O)CSC3=NC4=C(N3C5=CC=CC=C5)C=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O4S/c31-24(26-18-6-8-19(9-7-18)28-12-14-34-15-13-28)17-35-25-27-22-16-21(30(32)33)10-11-23(22)29(25)20-4-2-1-3-5-20/h1-11,16H,12-15,17H2,(H,26,31)