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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)CN4C=NC5=CC=CC=C5C4=O

Isomeric SMILES

C1CCN([C@@H](C1)C2=NC3=CC=CC=C3S2)C(=O)CN4C=NC5=CC=CC=C5C4=O

InChI

InChI=1S/C22H20N4O2S/c27-20(13-25-14-23-16-8-2-1-7-15(16)22(25)28)26-12-6-5-10-18(26)21-24-17-9-3-4-11-19(17)29-21/h1-4,7-9,11,14,18H,5-6,10,12-13H2/t18-/m0/s1