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

Systemtic Name: 1-methyl-3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole-2-thione Openeye Name: 1-methyl-3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole-2-thione CAS Name: 1-methyl-3-[[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-2-benzimidazolethione IUPAC Name: 1-methyl-3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole-2-thione Traditional Name: 1-methyl-3-[[4-(3-nitrophenyl)sulfonylpiperazino]methyl]benzimidazole-2-thione Formula: C19H21N5O4S2 MolecularWeight: 447.53114

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2N(C1=S)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C2=CC=CC=C2N(C1=S)CN3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H21N5O4S2/c1-20-17-7-2-3-8-18(17)23(19(20)29)14-21-9-11-22(12-10-21)30(27,28)16-6-4-5-15(13-16)24(25)26/h2-8,13H,9-12,14H2,1H3