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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-morpholino-3-nitro-benzamide Formula: C22H25N5O4S MolecularWeight: 455.53

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O4S/c1-32-13-8-18(21-23-16-4-2-3-5-17(16)24-21)25-22(28)15-6-7-19(20(14-15)27(29)30)26-9-11-31-12-10-26/h2-7,14,18H,8-13H2,1H3,(H,23,24)(H,25,28)