3-(4-propylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide

Systemtic Name: 3-(4-propylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide Openeye Name: 3-(4-propylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide CAS Name: 3-[(4-propyl-1-piperazin-4-iumyl)sulfonyl]benzenecarbothioamide IUPAC Name: 3-(4-propylpiperazin-4-ium-1-yl)sulfonylbenzenecarbothioamide Traditional Name: 3-(4-propylpiperazin-4-ium-1-yl)sulfonylthiobenzamide Formula: C14H22N3O2S2+ MolecularWeight: 328.47338

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=S)N

Isomeric SMILES

CCC[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C14H21N3O2S2/c1-2-6-16-7-9-17(10-8-16)21(18,19)13-5-3-4-12(11-13)14(15)20/h3-5,11H,2,6-10H2,1H3,(H2,15,20)/p+1