6-methoxy-1,1-bis(oxidanylidene)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one

Systemtic Name: 6-methoxy-1,1-bis(oxidanylidene)-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one Openeye Name: 6-methoxy-1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one CAS Name: 6-methoxy-1,1-dioxo-2-[3-[4-(2-pyrimidinyl)-1-piperazinyl]propyl]-1,2-benzothiazol-3-one IUPAC Name: 6-methoxy-1,1-dioxo-2-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-6-methoxy-2-[3-[4-(2-pyrimidyl)piperazino]propyl]-1,2-benzothiazol-3-one Formula: C19H23N5O4S MolecularWeight: 417.48202

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=O)N(S2(=O)=O)CCCN3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=O)N(S2(=O)=O)CCCN3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H23N5O4S/c1-28-15-4-5-16-17(14-15)29(26,27)24(18(16)25)9-3-8-22-10-12-23(13-11-22)19-20-6-2-7-21-19/h2,4-7,14H,3,8-13H2,1H3