4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,4-benzothiazin-3-one

Systemtic Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxidanylidene-butyl]-1,4-benzothiazin-3-one Openeye Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxo-butyl]-1,4-benzothiazin-3-one CAS Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-4-oxobutyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-4-oxobutyl]-1,4-benzothiazin-3-one Traditional Name: 4-[4-keto-4-(4-piperonylpiperazino)butyl]-1,4-benzothiazin-3-one Formula: C24H27N3O4S MolecularWeight: 453.55388

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C(=O)CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCN4C(=O)CSC5=CC=CC=C54

InChI

InChI=1S/C24H27N3O4S/c28-23(6-3-9-27-19-4-1-2-5-22(19)32-16-24(27)29)26-12-10-25(11-13-26)15-18-7-8-20-21(14-18)31-17-30-20/h1-2,4-5,7-8,14H,3,6,9-13,15-17H2