2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide

Systemtic Name: 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)ethanoyl]piperazin-1-ium-1-yl]-N-cyclopropyl-ethanamide Openeye Name: 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide CAS Name: 2-[4-[2-(1,3-benzothiazol-2-ylthio)-1-oxoethyl]-1-piperazin-1-iumyl]-N-cyclopropylacetamide IUPAC Name: 2-[4-[2-(1,3-benzothiazol-2-ylsulfanyl)acetyl]piperazin-1-ium-1-yl]-N-cyclopropylacetamide Traditional Name: 2-[4-[2-(1,3-benzothiazol-2-ylthio)acetyl]piperazin-1-ium-1-yl]-N-cyclopropyl-acetamide Formula: C18H23N4O2S2+ MolecularWeight: 391.53082

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CC1NC(=O)C[NH+]2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H22N4O2S2/c23-16(19-13-5-6-13)11-21-7-9-22(10-8-21)17(24)12-25-18-20-14-3-1-2-4-15(14)26-18/h1-4,13H,5-12H2,(H,19,23)/p+1