2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(4-ethanoylphenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone CAS Name: 1-[4-(4-acetylphenyl)sulfonyl-1-piperazinyl]-2-(1,3-benzothiazol-2-ylthio)ethanone IUPAC Name: 1-[4-(4-acetylphenyl)sulfonylpiperazin-1-yl]-2-(1,3-benzothiazol-2-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-acetylphenyl)sulfonylpiperazino]-2-(1,3-benzothiazol-2-ylthio)ethanone Formula: C21H21N3O4S3 MolecularWeight: 475.60414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H21N3O4S3/c1-15(25)16-6-8-17(9-7-16)31(27,28)24-12-10-23(11-13-24)20(26)14-29-21-22-18-4-2-3-5-19(18)30-21/h2-9H,10-14H2,1H3