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

Systemtic Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-chloranyl-2-nitro-benzamide Openeye Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanyl-propyl]-4-chloro-2-nitro-benzamide CAS Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-chloro-2-nitrobenzamide IUPAC Name: N-[1-(1H-benzimidazol-2-yl)-3-methylsulfanylpropyl]-4-chloro-2-nitrobenzamide Traditional Name: N-[1-(1H-benzimidazol-2-yl)-3-(methylthio)propyl]-4-chloro-2-nitro-benzamide Formula: C18H17ClN4O3S MolecularWeight: 404.87058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O3S/c1-27-9-8-15(17-20-13-4-2-3-5-14(13)21-17)22-18(24)12-7-6-11(19)10-16(12)23(25)26/h2-7,10,15H,8-9H2,1H3,(H,20,21)(H,22,24)