2-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one

Systemtic Name: 2-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxidanylidene-propyl]-1H-quinazolin-4-one Openeye Name: 2-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxo-propyl]-1H-quinazolin-4-one CAS Name: 2-[3-[(2S)-2-(1,3-benzothiazol-2-yl)-1-pyrrolidinyl]-3-oxopropyl]-1H-quinazolin-4-one IUPAC Name: 2-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-3-oxopropyl]-1H-quinazolin-4-one Traditional Name: 2-[3-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidino]-3-keto-propyl]-1H-quinazolin-4-one Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C[C@H](N(C1)C(=O)CCC2=NC(=O)C3=CC=CC=C3N2)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H20N4O2S/c27-20(12-11-19-23-15-7-2-1-6-14(15)21(28)25-19)26-13-5-9-17(26)22-24-16-8-3-4-10-18(16)29-22/h1-4,6-8,10,17H,5,9,11-13H2,(H,23,25,28)/t17-/m0/s1