3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium

Systemtic Name: 3-[[4-(1,3-benzothiazol-2-yl)piperazin-1-yl]carbothioylamino]propyl-dimethyl-azanium Openeye Name: 3-[[4-(1,3-benzothiazol-2-yl)piperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium CAS Name: 3-[[[4-(1,3-benzothiazol-2-yl)-1-piperazinyl]-sulfanylidenemethyl]amino]propyl-dimethylammonium IUPAC Name: 3-[[4-(1,3-benzothiazol-2-yl)piperazine-1-carbothioyl]amino]propyl-dimethylazanium Traditional Name: 3-[[4-(1,3-benzothiazol-2-yl)piperazine-1-carbothioyl]amino]propyl-dimethyl-ammonium Formula: C17H26N5S2+ MolecularWeight: 364.55184

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCCNC(=S)N1CCN(CC1)C2=NC3=CC=CC=C3S2

Isomeric SMILES

C[NH+](C)CCCNC(=S)N1CCN(CC1)C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H25N5S2/c1-20(2)9-5-8-18-16(23)21-10-12-22(13-11-21)17-19-14-6-3-4-7-15(14)24-17/h3-4,6-7H,5,8-13H2,1-2H3,(H,18,23)/p+1