N-[2-(1-methylbenzimidazol-2-yl)-1-phenyl-ethyl]-4-methylsulfanyl-3-nitro-benzamide

Systemtic Name: N-[2-(1-methylbenzimidazol-2-yl)-1-phenyl-ethyl]-4-methylsulfanyl-3-nitro-benzamide Openeye Name: N-[2-(1-methylbenzimidazol-2-yl)-1-phenyl-ethyl]-4-methylsulfanyl-3-nitro-benzamide CAS Name: N-[2-(1-methyl-2-benzimidazolyl)-1-phenylethyl]-4-(methylthio)-3-nitrobenzamide IUPAC Name: N-[2-(1-methylbenzimidazol-2-yl)-1-phenylethyl]-4-methylsulfanyl-3-nitrobenzamide Traditional Name: N-[2-(1-methylbenzimidazol-2-yl)-1-phenyl-ethyl]-4-(methylthio)-3-nitro-benzamide Formula: C24H22N4O3S MolecularWeight: 446.52148

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N=C1CC(C3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N=C1CC(C3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)SC)[N+](=O)[O-]

InChI

InChI=1S/C24H22N4O3S/c1-27-20-11-7-6-10-18(20)25-23(27)15-19(16-8-4-3-5-9-16)26-24(29)17-12-13-22(32-2)21(14-17)28(30)31/h3-14,19H,15H2,1-2H3,(H,26,29)