2-[[4-(2-oxidanylidenechromen-3-yl)carbonylpiperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one

Systemtic Name: 2-[[4-(2-oxidanylidenechromen-3-yl)carbonylpiperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-[oxo-(2-oxo-1-benzopyran-3-yl)methyl]-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(2-oxochromene-3-carbonyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[[4-(2-ketochromene-3-carbonyl)piperazino]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)SC(=N2)CN3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4=O

Isomeric SMILES

C1CC2=C(C(=O)C1)SC(=N2)CN3CCN(CC3)C(=O)C4=CC5=CC=CC=C5OC4=O

InChI

InChI=1S/C22H21N3O4S/c26-17-6-3-5-16-20(17)30-19(23-16)13-24-8-10-25(11-9-24)21(27)15-12-14-4-1-2-7-18(14)29-22(15)28/h1-2,4,7,12H,3,5-6,8-11,13H2