1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(2-thienylmethylsulfanyl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-(thiophen-2-ylmethylthio)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(thiophen-2-ylmethylsulfanyl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(2-thenylthio)ethanone Formula: C19H22N3OS3+ MolecularWeight: 404.59248

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CSCC4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CSCC4=CC=CS4

InChI

InChI=1S/C19H21N3OS3/c23-19(14-24-13-15-4-3-11-25-15)22-9-7-21(8-10-22)12-18-20-16-5-1-2-6-17(16)26-18/h1-6,11H,7-10,12-14H2/p+1