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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(phenylmethylsulfanyl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-benzylsulfanyl-ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazin-4-iumyl]-2-(phenylmethylthio)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-benzylsulfanylethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-4-ium-1-yl]-2-(benzylthio)ethanone Formula: C21H24N3OS2+ MolecularWeight: 398.56476

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CSCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=CC=CC=C3S2)C(=O)CSCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3OS2/c25-21(16-26-15-17-6-2-1-3-7-17)24-12-10-23(11-13-24)14-20-22-18-8-4-5-9-19(18)27-20/h1-9H,10-16H2/p+1