1-ethyl-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole-2-thione

Systemtic Name: 1-ethyl-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole-2-thione Openeye Name: 1-ethyl-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole-2-thione CAS Name: 1-ethyl-3-[[4-(4-methoxy-3-nitrophenyl)sulfonyl-1-piperazinyl]methyl]-2-benzimidazolethione IUPAC Name: 1-ethyl-3-[[4-(4-methoxy-3-nitrophenyl)sulfonylpiperazin-1-yl]methyl]benzimidazole-2-thione Traditional Name: 1-ethyl-3-[[4-(4-methoxy-3-nitro-phenyl)sulfonylpiperazino]methyl]benzimidazole-2-thione Formula: C21H25N5O5S2 MolecularWeight: 491.5837

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N(C1=S)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

Isomeric SMILES

CCN1C2=CC=CC=C2N(C1=S)CN3CCN(CC3)S(=O)(=O)C4=CC(=C(C=C4)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O5S2/c1-3-24-17-6-4-5-7-18(17)25(21(24)32)15-22-10-12-23(13-11-22)33(29,30)16-8-9-20(31-2)19(14-16)26(27)28/h4-9,14H,3,10-13,15H2,1-2H3