2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanamide

Systemtic Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]ethanamide Openeye Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[4-(2-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide CAS Name: 2-[(1-methyl-2-imidazolyl)thio]-N-[4-[oxo-[4-(thiophen-2-ylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]acetamide IUPAC Name: 2-(1-methylimidazol-2-yl)sulfanyl-N-[4-[4-(thiophen-2-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide Traditional Name: 2-[(1-methylimidazol-2-yl)thio]-N-[4-[4-(2-thenyl)piperazin-4-ium-1-carbonyl]phenyl]acetamide Formula: C22H26N5O2S2+ MolecularWeight: 456.60414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=CC=CS4

InChI

InChI=1S/C22H25N5O2S2/c1-25-9-8-23-22(25)31-16-20(28)24-18-6-4-17(5-7-18)21(29)27-12-10-26(11-13-27)15-19-3-2-14-30-19/h2-9,14H,10-13,15-16H2,1H3,(H,24,28)/p+1