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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2C(C)C

InChI

InChI=1S/C21H22ClN3O2S/c1-4-14-5-8-16(9-6-14)23-19(26)12-28-21-24-18-11-15(22)7-10-17(18)20(27)25(21)13(2)3/h5-11,13H,4,12H2,1-3H3,(H,23,26)