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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-(4-benzylsulfonylpiperazino)ethanone Formula: C20H21N3O3S3 MolecularWeight: 447.59404

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3S2)S(=O)(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=NC3=CC=CC=C3S2)S(=O)(=O)CC4=CC=CC=C4

InChI

InChI=1S/C20H21N3O3S3/c24-19(14-27-20-21-17-8-4-5-9-18(17)28-20)22-10-12-23(13-11-22)29(25,26)15-16-6-2-1-3-7-16/h1-9H,10-15H2