methyl 4-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-(3-thienylmethyl)piperazin-4-ium-1-carbothioyl]amino]butanoate CAS Name: 4-[[sulfanylidene-[4-(3-thiophenylmethyl)-1-piperazin-4-iumyl]methyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-(thiophen-3-ylmethyl)piperazin-4-ium-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-(3-thenyl)piperazin-4-ium-1-carbothioyl]amino]butyric acid methyl ester Formula: C15H24N3O2S2+ MolecularWeight: 342.49996

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CC[NH+](CC1)CC2=CSC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)N1CC[NH+](CC1)CC2=CSC=C2

InChI

InChI=1S/C15H23N3O2S2/c1-20-14(19)3-2-5-16-15(21)18-8-6-17(7-9-18)11-13-4-10-22-12-13/h4,10,12H,2-3,5-9,11H2,1H3,(H,16,21)/p+1