3-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(5-chlorothiophen-2-yl)sulfonylpiperazine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-[(5-chloro-2-thienyl)sulfonyl]piperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C14H24ClN4O2S3+ MolecularWeight: 412.01396

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(S2)Cl

InChI

InChI=1S/C14H23ClN4O2S3/c1-17(2)7-3-6-16-14(22)18-8-10-19(11-9-18)24(20,21)13-5-4-12(15)23-13/h4-5H,3,6-11H2,1-2H3,(H,16,22)/p+1