3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxo-ethyl]-2H-phthalazine-1,4-dione CAS Name: 3-[2-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-2-oxoethyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-2-oxoethyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[2-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-2-keto-ethyl]-2H-phthalazine-1,4-quinone Formula: C22H21N5O3S MolecularWeight: 435.49884

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C22H21N5O3S/c28-20(14-27-22(30)16-6-2-1-5-15(16)21(29)24-27)26-11-9-25(10-12-26)13-19-23-17-7-3-4-8-18(17)31-19/h1-8H,9-14H2,(H,24,29)