4-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-ylthio)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-ylsulfanyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-ylthio)-1-[4-(2-thienylsulfonyl)piperazino]butan-1-one Formula: C19H21N3O3S4 MolecularWeight: 467.64834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CCN1C(=O)CCCSC2=NC3=CC=CC=C3S2)S(=O)(=O)C4=CC=CS4

InChI

InChI=1S/C19H21N3O3S4/c23-17(7-3-14-27-19-20-15-5-1-2-6-16(15)28-19)21-9-11-22(12-10-21)29(24,25)18-8-4-13-26-18/h1-2,4-6,8,13H,3,7,9-12,14H2