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

Systemtic Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]-4H-isoquinoline-1,3-dione Openeye Name: 2-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]-4H-isoquinoline-1,3-dione CAS Name: 2-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4H-isoquinoline-1,3-dione IUPAC Name: 2-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]-4H-isoquinoline-1,3-dione Traditional Name: 2-[2-[4-(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:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)CC5=CC=CC=C5C4=O

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CN4C(=O)CC5=CC=CC=C5C4=O

InChI

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