(2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanamide

Systemtic Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxidanylidenequinazolin-3-yl)butanamide Openeye Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide CAS Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxo-3-quinazolinyl)butanamide IUPAC Name: (2S)-N-(1,3-benzothiazol-2-yl)-3-methyl-2-(4-oxoquinazolin-3-yl)butanamide Traditional Name: (2S)-N-(1,3-benzothiazol-2-yl)-2-(4-ketoquinazolin-3-yl)-3-methyl-butyramide Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=NC2=CC=CC=C2S1)N3C=NC4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=NC2=CC=CC=C2S1)N3C=NC4=CC=CC=C4C3=O

InChI

InChI=1S/C20H18N4O2S/c1-12(2)17(24-11-21-14-8-4-3-7-13(14)19(24)26)18(25)23-20-22-15-9-5-6-10-16(15)27-20/h3-12,17H,1-2H3,(H,22,23,25)/t17-/m0/s1