methyl 4-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbothioylamino]butanoate

Systemtic Name: methyl 4-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbothioylamino]butanoate Openeye Name: methyl 4-[[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbothioyl]amino]butanoate CAS Name: 4-[[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbothioyl]amino]butanoate Traditional Name: 4-[[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbothioyl]amino]butyric acid methyl ester Formula: C15H23ClN3O2S2+ MolecularWeight: 376.94502

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)N1CC[NH+](CC1)CC2=CC=C(S2)Cl

Isomeric SMILES

COC(=O)CCCNC(=S)N1CC[NH+](CC1)CC2=CC=C(S2)Cl

InChI

InChI=1S/C15H22ClN3O2S2/c1-21-14(20)3-2-6-17-15(22)19-9-7-18(8-10-19)11-12-4-5-13(16)23-12/h4-5H,2-3,6-11H2,1H3,(H,17,22)/p+1