N-[2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoyl]-2-phenyl-ethanamide

Systemtic Name: N-[2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanylethanoyl]-2-phenyl-ethanamide Openeye Name: N-[2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-2-phenyl-acetamide CAS Name: N-[2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-1-oxoethyl]-2-phenylacetamide IUPAC Name: N-[2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylacetyl]-2-phenylacetamide Traditional Name: N-[2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]acetyl]-2-phenyl-acetamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NC(=O)CC3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O3S/c1-13(2)25-20(28)16-9-8-15(22)11-17(16)23-21(25)29-12-19(27)24-18(26)10-14-6-4-3-5-7-14/h3-9,11,13H,10,12H2,1-2H3,(H,24,26,27)