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

Systemtic Name: 1-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxidanylidene-propyl]cinnolin-4-one Openeye Name: 1-[3-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidyl]-3-oxo-propyl]cinnolin-4-one CAS Name: 1-[3-[(3S)-3-(1,3-benzothiazol-2-yl)-1-piperidinyl]-3-oxopropyl]-4-cinnolinone IUPAC Name: 1-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]-3-oxopropyl]cinnolin-4-one Traditional Name: 1-[3-[(3S)-3-(1,3-benzothiazol-2-yl)piperidino]-3-keto-propyl]cinnolin-4-one Formula: C23H22N4O2S MolecularWeight: 418.51138

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CCN2C3=CC=CC=C3C(=O)C=N2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@@H](CN(C1)C(=O)CCN2C3=CC=CC=C3C(=O)C=N2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H22N4O2S/c28-20-14-24-27(19-9-3-1-7-17(19)20)13-11-22(29)26-12-5-6-16(15-26)23-25-18-8-2-4-10-21(18)30-23/h1-4,7-10,14,16H,5-6,11-13,15H2/t16-/m0/s1