4-methylsulfanyl-N-[(1S,2R)-2-[2-(4-nitro-1H-benzimidazol-2-yl)ethanoylamino]cyclohexyl]benzamide

Systemtic Name: 4-methylsulfanyl-N-[(1S,2R)-2-[2-(4-nitro-1H-benzimidazol-2-yl)ethanoylamino]cyclohexyl]benzamide Openeye Name: 4-methylsulfanyl-N-[(1S,2R)-2-[[2-(4-nitro-1H-benzimidazol-2-yl)acetyl]amino]cyclohexyl]benzamide CAS Name: 4-(methylthio)-N-[(1S,2R)-2-[[2-(4-nitro-1H-benzimidazol-2-yl)-1-oxoethyl]amino]cyclohexyl]benzamide IUPAC Name: 4-methylsulfanyl-N-[(1S,2R)-2-[[2-(4-nitro-1H-benzimidazol-2-yl)acetyl]amino]cyclohexyl]benzamide Traditional Name: 4-(methylthio)-N-[(1S,2R)-2-[[2-(4-nitro-1H-benzimidazol-2-yl)acetyl]amino]cyclohexyl]benzamide Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NC2CCCCC2NC(=O)CC3=NC4=C(N3)C=CC=C4[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)N[C@H]2CCCC[C@H]2NC(=O)CC3=NC4=C(N3)C=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O4S/c1-33-15-11-9-14(10-12-15)23(30)26-17-6-3-2-5-16(17)25-21(29)13-20-24-18-7-4-8-19(28(31)32)22(18)27-20/h4,7-12,16-17H,2-3,5-6,13H2,1H3,(H,24,27)(H,25,29)(H,26,30)/t16-,17+/m1/s1