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

Systemtic Name: 2-[[1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]amino]-1-(4-cyclopropylcarbonylpiperazin-1-yl)hexan-1-one Openeye Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexan-1-one CAS Name: 1-[4-[cyclopropyl(oxo)methyl]-1-piperazinyl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]-1-hexanone IUPAC Name: 1-[4-(cyclopropanecarbonyl)piperazin-1-yl]-2-[(1,1-dioxo-1,2-benzothiazol-3-yl)amino]hexan-1-one Traditional Name: 1-[4-(cyclopropanecarbonyl)piperazino]-2-[(1,1-diketo-1,2-benzothiazol-3-yl)amino]hexan-1-one Formula: C21H28N4O4S MolecularWeight: 432.53642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O4S/c1-2-3-7-17(22-19-16-6-4-5-8-18(16)30(28,29)23-19)21(27)25-13-11-24(12-14-25)20(26)15-9-10-15/h4-6,8,15,17H,2-3,7,9-14H2,1H3,(H,22,23)