4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]butan-1-one Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(1,3-benzothiazol-2-ylsulfanyl)butan-1-one CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-4-(1,3-benzothiazol-2-ylthio)-1-butanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-4-(1,3-benzothiazol-2-ylsulfanyl)butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-(4-besylpiperazino)butan-1-one Formula: C21H23N3O3S3 MolecularWeight: 461.62062

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S3/c25-20(11-6-16-28-21-22-18-9-4-5-10-19(18)29-21)23-12-14-24(15-13-23)30(26,27)17-7-2-1-3-8-17/h1-5,7-10H,6,11-16H2