N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[4-(1H-benzimidazol-2-ylthio)phenyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[4-(1H-benzimidazol-2-ylsulfanyl)phenyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[4-(1H-benzimidazol-2-ylthio)phenyl]-4-methoxy-3-nitro-benzamide Formula: C21H16N4O4S MolecularWeight: 420.44114

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=NC4=CC=CC=C4N3)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O4S/c1-29-19-11-6-13(12-18(19)25(27)28)20(26)22-14-7-9-15(10-8-14)30-21-23-16-4-2-3-5-17(16)24-21/h2-12H,1H3,(H,22,26)(H,23,24)