2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-phenethyl-ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-propan-2-yl-quinazolin-2-yl)sulfanyl-N-phenethyl-ethanamide Openeye Name: 2-(7-chloro-3-isopropyl-4-oxo-quinazolin-2-yl)sulfanyl-N-phenethyl-acetamide CAS Name: 2-[(7-chloro-4-oxo-3-propan-2-yl-2-quinazolinyl)thio]-N-phenethylacetamide IUPAC Name: 2-(7-chloro-4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanyl-N-phenethylacetamide Traditional Name: 2-[(7-chloro-3-isopropyl-4-keto-quinazolin-2-yl)thio]-N-phenethyl-acetamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)N1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3O2S/c1-14(2)25-20(27)17-9-8-16(22)12-18(17)24-21(25)28-13-19(26)23-11-10-15-6-4-3-5-7-15/h3-9,12,14H,10-11,13H2,1-2H3,(H,23,26)