1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-phenethyl-benzimidazole-2-thione

Systemtic Name: 1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-phenethyl-benzimidazole-2-thione Openeye Name: 1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-phenethyl-benzimidazole-2-thione CAS Name: 1-[[4-(2-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-3-phenethyl-2-benzimidazolethione IUPAC Name: 1-[[4-(2-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-3-phenethylbenzimidazole-2-thione Traditional Name: 1-[[4-(2-nitrophenyl)sulfonylpiperazino]methyl]-3-phenethyl-benzimidazole-2-thione Formula: C26H27N5O4S2 MolecularWeight: 537.65368

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C3=CC=CC=C3N(C2=S)CCC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CN2C3=CC=CC=C3N(C2=S)CCC4=CC=CC=C4)S(=O)(=O)C5=CC=CC=C5[N+](=O)[O-]

InChI

InChI=1S/C26H27N5O4S2/c32-31(33)24-12-6-7-13-25(24)37(34,35)28-18-16-27(17-19-28)20-30-23-11-5-4-10-22(23)29(26(30)36)15-14-21-8-2-1-3-9-21/h1-13H,14-20H2