N-(4-methylphenyl)-2-[2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide

Systemtic Name: N-(4-methylphenyl)-2-[2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbonylphenyl]sulfanyl-ethanamide Openeye Name: N-(p-tolyl)-2-[2-[4-(3-thienylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanyl-acetamide CAS Name: N-(4-methylphenyl)-2-[[2-[oxo-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]phenyl]thio]acetamide IUPAC Name: N-(4-methylphenyl)-2-[2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: N-(p-tolyl)-2-[[2-[4-(3-thenyl)piperazin-4-ium-1-carbonyl]phenyl]thio]acetamide Formula: C25H28N3O2S2+ MolecularWeight: 466.63872

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CSC=C4

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CC[NH+](CC3)CC4=CSC=C4

InChI

InChI=1S/C25H27N3O2S2/c1-19-6-8-21(9-7-19)26-24(29)18-32-23-5-3-2-4-22(23)25(30)28-13-11-27(12-14-28)16-20-10-15-31-17-20/h2-10,15,17H,11-14,16,18H2,1H3,(H,26,29)/p+1