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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(3-methylpiperidin-1-yl)-4-methylsulfanyl-butan-1-one Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(3-methyl-1-piperidyl)-4-methylsulfanyl-butan-1-one CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(3-methyl-1-piperidinyl)-4-(methylthio)-1-butanone IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-(3-methylpiperidin-1-yl)-4-methylsulfanylbutan-1-one Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-1-(3-methylpiperidino)-4-(methylthio)butan-1-one Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)C(CCSC)NC2=NS(=O)(=O)C3=CC=CC=C32

Isomeric SMILES

CC1CCCN(C1)C(=O)C(CCSC)NC2=NS(=O)(=O)C3=CC=CC=C32

InChI

InChI=1S/C18H25N3O3S2/c1-13-6-5-10-21(12-13)18(22)15(9-11-25-2)19-17-14-7-3-4-8-16(14)26(23,24)20-17/h3-4,7-8,13,15H,5-6,9-12H2,1-2H3,(H,19,20)