N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)phenyl]-4-nitro-benzamide

Systemtic Name: N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)phenyl]-4-nitro-benzamide Openeye Name: N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)phenyl]-4-nitro-benzamide CAS Name: N-[2-(1H-benzimidazol-2-ylmethylthio)phenyl]-4-nitrobenzamide IUPAC Name: N-[2-(1H-benzimidazol-2-ylmethylsulfanyl)phenyl]-4-nitrobenzamide Traditional Name: N-[2-(1H-benzimidazol-2-ylmethylthio)phenyl]-4-nitro-benzamide Formula: C21H16N4O3S MolecularWeight: 404.44174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CSC3=CC=CC=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CSC3=CC=CC=C3NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H16N4O3S/c26-21(14-9-11-15(12-10-14)25(27)28)24-18-7-3-4-8-19(18)29-13-20-22-16-5-1-2-6-17(16)23-20/h1-12H,13H2,(H,22,23)(H,24,26)