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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(4-cyclopropylcarbonylpiperazin-1-yl)-3-methyl-butan-1-one Openeye Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-butan-1-one CAS Name: 1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methyl-1-butanone IUPAC Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-3-methylbutan-1-one Traditional Name: 1-[4-(cyclopropanecarbonyl)piperazino]-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]-3-methyl-butan-1-one Formula: C20H26N4O4S MolecularWeight: 418.50984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2CC2)NC3=NS(=O)(=O)C4=CC=CC=C43

Isomeric SMILES

CC(C)C(C(=O)N1CCN(CC1)C(=O)C2CC2)NC3=NS(=O)(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H26N4O4S/c1-13(2)17(21-18-15-5-3-4-6-16(15)29(27,28)22-18)20(26)24-11-9-23(10-12-24)19(25)14-7-8-14/h3-6,13-14,17H,7-12H2,1-2H3,(H,21,22)