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

Systemtic Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-imidazol-1-yl-3-nitro-benzamide Openeye Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-imidazol-1-yl-3-nitro-benzamide CAS Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(1-imidazolyl)-3-nitrobenzamide IUPAC Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-imidazol-1-yl-3-nitrobenzamide Traditional Name: N-[(1R)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-imidazol-1-yl-3-nitro-benzamide Formula: C21H20N6O3S MolecularWeight: 436.4869

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)N4C=CN=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H20N6O3S/c1-31-11-8-17(20-23-15-4-2-3-5-16(15)24-20)25-21(28)14-6-7-18(19(12-14)27(29)30)26-10-9-22-13-26/h2-7,9-10,12-13,17H,8,11H2,1H3,(H,23,24)(H,25,28)/t17-/m1/s1