N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2-nitrophenoxy)ethanamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2-nitrophenoxy)ethanamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-(2-nitrophenoxy)acetamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(2-nitrophenoxy)acetamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-(2-nitrophenoxy)acetamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-(2-nitrophenoxy)acetamide Formula: C19H20N4O4S MolecularWeight: 400.4515

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)COC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O4S/c1-28-11-10-15(19-21-13-6-2-3-7-14(13)22-19)20-18(24)12-27-17-9-5-4-8-16(17)23(25)26/h2-9,15H,10-12H2,1H3,(H,20,24)(H,21,22)/t15-/m0/s1