3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate

Systemtic Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxidanylidene-propyl]-4-oxidanylidene-phthalazin-1-olate Openeye Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxo-propyl]-4-oxo-phthalazin-1-olate CAS Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-3-oxopropyl]-4-oxo-1-phthalazinolate IUPAC Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-oxopropyl]-4-oxophthalazin-1-olate Traditional Name: 3-[3-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-3-keto-propyl]-4-keto-phthalazin-1-olate Formula: C23H22N5O3S- MolecularWeight: 448.51748

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)C5=CC=CC=C5C(=N4)[O-]

Isomeric SMILES

C1CN(CCN1CC2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)C5=CC=CC=C5C(=N4)[O-]

InChI

InChI=1S/C23H23N5O3S/c29-21(9-10-28-23(31)17-6-2-1-5-16(17)22(30)25-28)27-13-11-26(12-14-27)15-20-24-18-7-3-4-8-19(18)32-20/h1-8H,9-15H2,(H,25,30)/p-1