2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-1-piperidin-1-yl-butan-1-one

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-4-methylsulfanyl-1-piperidin-1-yl-butan-1-one Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-1-(1-piperidyl)butan-1-one CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-1-(1-piperidinyl)-1-butanone IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-4-methylsulfanyl-1-piperidin-1-ylbutan-1-one Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-4-(methylthio)-1-piperidino-butan-1-one Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)N1CCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CSCCC(C(=O)N1CCCCC1)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C17H23N3O3S2/c1-24-12-9-14(17(21)20-10-5-2-6-11-20)18-16-13-7-3-4-8-15(13)25(22,23)19-16/h3-4,7-8,14H,2,5-6,9-12H2,1H3,(H,18,19)