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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CCN([C@@H](C1)C2=NC3=CC=CC=C3S2)C(=O)CCN4C(=O)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C23H22N4O3S/c28-20(12-14-27-23(30)16-8-2-1-7-15(16)21(29)25-27)26-13-6-5-10-18(26)22-24-17-9-3-4-11-19(17)31-22/h1-4,7-9,11,18H,5-6,10,12-14H2,(H,25,29)/t18-/m0/s1