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

Systemtic Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-1,4-benzothiazin-3-one Openeye Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-1,4-benzothiazin-3-one CAS Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-3-oxopropyl]-1,4-benzothiazin-3-one IUPAC Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-oxopropyl]-1,4-benzothiazin-3-one Traditional Name: 4-[3-keto-3-(4-piperonylpiperazino)propyl]-1,4-benzothiazin-3-one Formula: C23H25N3O4S MolecularWeight: 439.5273

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C(=O)CSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCN4C(=O)CSC5=CC=CC=C54

InChI

InChI=1S/C23H25N3O4S/c27-22(7-8-26-18-3-1-2-4-21(18)31-15-23(26)28)25-11-9-24(10-12-25)14-17-5-6-19-20(13-17)30-16-29-19/h1-6,13H,7-12,14-16H2