N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-5-nitro-2-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=C(C=CC(=C3)[N+](=O)[O-])N4CCCCC4

Isomeric SMILES

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

InChI

InChI=1S/C23H27N5O3S/c1-32-14-11-20(22-24-18-7-3-4-8-19(18)25-22)26-23(29)17-15-16(28(30)31)9-10-21(17)27-12-5-2-6-13-27/h3-4,7-10,15,20H,2,5-6,11-14H2,1H3,(H,24,25)(H,26,29)/t20-/m0/s1