3-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxopropyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-[4-(1,3-benzothiazol-2-yl)piperidino]-3-keto-propyl]-2H-phthalazine-1,4-quinone Formula: C23H22N4O3S MolecularWeight: 434.51078

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C23H22N4O3S/c28-20(11-14-27-23(30)17-6-2-1-5-16(17)21(29)25-27)26-12-9-15(10-13-26)22-24-18-7-3-4-8-19(18)31-22/h1-8,15H,9-14H2,(H,25,29)