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

Systemtic Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[3-(1H-benzimidazol-2-yl)propyl]-4-(methylthio)-3-nitro-benzamide Formula: C18H18N4O3S MolecularWeight: 370.42552

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)NCCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)NCCCC2=NC3=CC=CC=C3N2)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O3S/c1-26-16-9-8-12(11-15(16)22(24)25)18(23)19-10-4-7-17-20-13-5-2-3-6-14(13)21-17/h2-3,5-6,8-9,11H,4,7,10H2,1H3,(H,19,23)(H,20,21)