N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-nitro-cyclopropane-1-carboxamide

Systemtic Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-nitro-cyclopropane-1-carboxamide Openeye Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-2-nitro-cyclopropanecarboxamide CAS Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-nitro-1-cyclopropanecarboxamide IUPAC Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-2-nitrocyclopropane-1-carboxamide Traditional Name: N-[(1S)-1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-2-nitro-cyclopropanecarboxamide Formula: C15H18N4O3S MolecularWeight: 334.39342

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C1=NC2=CC=CC=C2N1)NC(=O)C3CC3[N+](=O)[O-]

Isomeric SMILES

CSCC[C@@H](C1=NC2=CC=CC=C2N1)NC(=O)C3CC3[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O3S/c1-23-7-6-12(18-15(20)9-8-13(9)19(21)22)14-16-10-4-2-3-5-11(10)17-14/h2-5,9,12-13H,6-8H2,1H3,(H,16,17)(H,18,20)/t9?,12-,13?/m0/s1