1-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one

Systemtic Name: 1-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxidanylidene-ethyl]cinnolin-4-one Openeye Name: 1-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-oxo-ethyl]cinnolin-4-one CAS Name: 1-[2-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-oxoethyl]-4-cinnolinone IUPAC Name: 1-[2-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-oxoethyl]cinnolin-4-one Traditional Name: 1-[2-[4-(1,3-benzothiazol-2-yl)piperidino]-2-keto-ethyl]cinnolin-4-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CN4C5=CC=CC=C5C(=O)C=N4

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CN4C5=CC=CC=C5C(=O)C=N4

InChI

InChI=1S/C22H20N4O2S/c27-19-13-23-26(18-7-3-1-5-16(18)19)14-21(28)25-11-9-15(10-12-25)22-24-17-6-2-4-8-20(17)29-22/h1-8,13,15H,9-12,14H2