6,7-dimethyl-1,1-bis(oxidanylidene)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one

Systemtic Name: 6,7-dimethyl-1,1-bis(oxidanylidene)-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one Openeye Name: 6,7-dimethyl-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one CAS Name: 6,7-dimethyl-1,1-dioxo-2-[4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl]-1,2-benzothiazol-3-one IUPAC Name: 6,7-dimethyl-1,1-dioxo-2-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-6,7-dimethyl-2-[4-[4-(2-pyrimidyl)piperazino]butyl]-1,2-benzothiazol-3-one Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)N(S2(=O)=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)N(S2(=O)=O)CCCCN3CCN(CC3)C4=NC=CC=N4)C

InChI

InChI=1S/C21H27N5O3S/c1-16-6-7-18-19(17(16)2)30(28,29)26(20(18)27)11-4-3-10-24-12-14-25(15-13-24)21-22-8-5-9-23-21/h5-9H,3-4,10-15H2,1-2H3