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

Systemtic Name: 1-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propan-2-yl-benzimidazole-2-thione Openeye Name: 1-isopropyl-3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole-2-thione CAS Name: 1-[[4-(3-nitrophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-3-propan-2-yl-2-benzimidazolethione IUPAC Name: 1-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-3-propan-2-ylbenzimidazole-2-thione Traditional Name: 1-isopropyl-3-[[4-(3-nitrophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]benzimidazole-2-thione Formula: C21H26N5O4S2+ MolecularWeight: 476.59224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C2=CC=CC=C2N(C1=S)C[NH+]3CCN(CC3)S(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H25N5O4S2/c1-16(2)25-20-9-4-3-8-19(20)24(21(25)31)15-22-10-12-23(13-11-22)32(29,30)18-7-5-6-17(14-18)26(27)28/h3-9,14,16H,10-13,15H2,1-2H3/p+1