N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-methoxy-3-nitro-benzamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(CCSC)C2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-27-17-8-7-12(11-16(17)23(25)26)19(24)22-15(9-10-28-2)18-20-13-5-3-4-6-14(13)21-18/h3-8,11,15H,9-10H2,1-2H3,(H,20,21)(H,22,24)