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

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-[(E)-styryl]sulfonylpiperazino]ethanone Formula: C21H21N3O3S3 MolecularWeight: 459.60474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O3S3/c25-20(16-28-21-22-18-8-4-5-9-19(18)29-21)23-11-13-24(14-12-23)30(26,27)15-10-17-6-2-1-3-7-17/h1-10,15H,11-14,16H2/b15-10+