1-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-yl]-2-methyl-butan-1-one

Systemtic Name: 1-[4-[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]piperazin-1-yl]-2-methyl-butan-1-one Openeye Name: 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-methyl-butan-1-one CAS Name: 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)-1-piperazinyl]-2-methyl-1-butanone IUPAC Name: 1-[4-(1,1-dioxo-1,2-benzothiazol-3-yl)piperazin-1-yl]-2-methylbutan-1-one Traditional Name: 1-[4-(1,1-diketo-1,2-benzothiazol-3-yl)piperazino]-2-methyl-butan-1-one Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(=O)N1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CCC(C)C(=O)N1CCN(CC1)C2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C16H21N3O3S/c1-3-12(2)16(20)19-10-8-18(9-11-19)15-13-6-4-5-7-14(13)23(21,22)17-15/h4-7,12H,3,8-11H2,1-2H3