N-(4-chloranyl-3-nitro-phenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide

Systemtic Name: N-(4-chloranyl-3-nitro-phenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]ethanamide Openeye Name: N-(4-chloro-3-nitro-phenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide CAS Name: N-(4-chloro-3-nitrophenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetamide IUPAC Name: N-(4-chloro-3-nitrophenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide Traditional Name: N-(4-chloro-3-nitro-phenyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)thio]acetamide Formula: C17H15ClN4O4S MolecularWeight: 406.8434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(N2)SCC(=O)NC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN4O4S/c1-2-26-11-4-6-13-14(8-11)21-17(20-13)27-9-16(23)19-10-3-5-12(18)15(7-10)22(24)25/h3-8H,2,9H2,1H3,(H,19,23)(H,20,21)