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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one Openeye Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-[4-(2-pyridyl)piperazin-1-yl]butan-1-one CAS Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-[4-(2-pyridinyl)-1-piperazinyl]-1-butanone IUPAC Name: 2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one Traditional Name: 2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-[4-(2-pyridyl)piperazino]butan-1-one Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=N2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C2=CC=CC=N2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C21H25N5O3S/c1-15(2)19(23-20-16-7-3-4-8-17(16)30(28,29)24-20)21(27)26-13-11-25(12-14-26)18-9-5-6-10-22-18/h3-10,15,19H,11-14H2,1-2H3,(H,23,24)