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

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-3-nitro-4-piperidino-benzamide Formula: C23H27N5O3S MolecularWeight: 453.55718

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3=CC(=C(C=C3)N4CCCCC4)[N+](=O)[O-]

InChI

InChI=1S/C23H27N5O3S/c1-32-14-11-19(22-24-17-7-3-4-8-18(17)25-22)26-23(29)16-9-10-20(21(15-16)28(30)31)27-12-5-2-6-13-27/h3-4,7-10,15,19H,2,5-6,11-14H2,1H3,(H,24,25)(H,26,29)/t19-/m0/s1