2-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-1H-pyridazine-3,6-dione

Systemtic Name: 2-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]-1H-pyridazine-3,6-dione Openeye Name: 2-[3-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-propyl]-1H-pyridazine-3,6-dione CAS Name: 2-[3-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxopropyl]-1H-pyridazine-3,6-dione IUPAC Name: 2-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]-1H-pyridazine-3,6-dione Traditional Name: 2-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-3-keto-propyl]-1H-pyridazine-3,6-quinone Formula: C19H20N4O3S MolecularWeight: 384.4521

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCN2C(=O)C=CC(=O)N2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCN2C(=O)C=CC(=O)N2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C19H20N4O3S/c24-16-7-8-18(26)23(21-16)11-9-17(25)22-10-3-4-13(12-22)19-20-14-5-1-2-6-15(14)27-19/h1-2,5-8,13H,3-4,9-12H2,(H,21,24)/t13-/m0/s1