2-[[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one

Systemtic Name: 2-[[4-(1,3-benzodioxol-5-ylcarbonyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Openeye Name: 2-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one CAS Name: 2-[[4-[1,3-benzodioxol-5-yl(oxo)methyl]-1-piperazinyl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one IUPAC Name: 2-[[4-(1,3-benzodioxole-5-carbonyl)piperazin-1-yl]methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Traditional Name: 2-[(4-piperonyloylpiperazino)methyl]-5,6-dihydro-4H-1,3-benzothiazol-7-one Formula: C20H21N3O4S MolecularWeight: 399.46344

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C(=O)C1)SC(=N2)CN3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CC2=C(C(=O)C1)SC(=N2)CN3CCN(CC3)C(=O)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C20H21N3O4S/c24-15-3-1-2-14-19(15)28-18(21-14)11-22-6-8-23(9-7-22)20(25)13-4-5-16-17(10-13)27-12-26-16/h4-5,10H,1-3,6-9,11-12H2