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

Systemtic Name: 3-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[3-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-propyl]-2H-phthalazine-1,4-dione CAS Name: 3-[3-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxopropyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[3-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[3-[(3R)-3-(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:

C1CC(CN(C1)C(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CCN2C(=O)C3=CC=CC=C3C(=O)N2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N4O3S/c28-20(11-13-27-23(30)17-8-2-1-7-16(17)21(29)25-27)26-12-5-6-15(14-26)22-24-18-9-3-4-10-19(18)31-22/h1-4,7-10,15H,5-6,11-14H2,(H,25,29)/t15-/m1/s1