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

Systemtic Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-[(3R)-3-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]-4H-isoquinoline-1,3-quinone Formula: C23H21N3O3S MolecularWeight: 419.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CN2C(=O)CC3=CC=CC=C3C2=O)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CN2C(=O)CC3=CC=CC=C3C2=O)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3O3S/c27-20-12-15-6-1-2-8-17(15)23(29)26(20)14-21(28)25-11-5-7-16(13-25)22-24-18-9-3-4-10-19(18)30-22/h1-4,6,8-10,16H,5,7,11-14H2/t16-/m1/s1