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

Systemtic Name: N-(3-methylphenyl)-2-[2-oxidanylidene-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-ethanamide Openeye Name: N-(m-tolyl)-2-[2-oxo-2-[4-(3-thienylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-acetamide CAS Name: N-(3-methylphenyl)-2-[[2-oxo-2-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]ethyl]thio]acetamide IUPAC Name: N-(3-methylphenyl)-2-[2-oxo-2-[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]ethyl]sulfanylacetamide Traditional Name: 2-[[2-keto-2-[4-(3-thenyl)piperazin-4-ium-1-yl]ethyl]thio]-N-(m-tolyl)acetamide Formula: C20H26N3O2S2+ MolecularWeight: 404.56934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CC[NH+](CC2)CC3=CSC=C3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)CSCC(=O)N2CC[NH+](CC2)CC3=CSC=C3

InChI

InChI=1S/C20H25N3O2S2/c1-16-3-2-4-18(11-16)21-19(24)14-27-15-20(25)23-8-6-22(7-9-23)12-17-5-10-26-13-17/h2-5,10-11,13H,6-9,12,14-15H2,1H3,(H,21,24)/p+1