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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(dimethylamino)-3-nitro-benzamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-(dimethylamino)-3-nitro-benzamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(dimethylamino)-3-nitrobenzamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-(dimethylamino)-3-nitrobenzamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(dimethylamino)-3-nitro-benzamide Formula: C20H23N5O3S MolecularWeight: 413.49332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O3S/c1-24(2)17-9-8-13(12-18(17)25(27)28)20(26)23-16(10-11-29-3)19-21-14-6-4-5-7-15(14)22-19/h4-9,12,16H,10-11H2,1-3H3,(H,21,22)(H,23,26)