methyl 6-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbothioylamino]hexanoate

Systemtic Name: methyl 6-[[4-[(5-chloranylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]carbothioylamino]hexanoate Openeye Name: methyl 6-[[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbothioyl]amino]hexanoate CAS Name: 6-[[[4-[(5-chloro-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-sulfanylidenemethyl]amino]hexanoic acid methyl ester IUPAC Name: methyl 6-[[4-[(5-chlorothiophen-2-yl)methyl]piperazin-4-ium-1-carbothioyl]amino]hexanoate Traditional Name: 6-[[4-[(5-chloro-2-thienyl)methyl]piperazin-4-ium-1-carbothioyl]amino]hexanoic acid methyl ester Formula: C17H27ClN3O2S2+ MolecularWeight: 404.99818

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26ClN3O2S2/c1-23-16(22)5-3-2-4-8-19-17(24)21-11-9-20(10-12-21)13-14-6-7-15(18)25-14/h6-7H,2-5,8-13H2,1H3,(H,19,24)/p+1