N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-chloranyl-4,6-dimethyl-phenyl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(2-chloro-4,6-dimethylphenyl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(2-chloro-4,6-dimethylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-chloro-4,6-dimethyl-phenyl)-2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetamide Formula: C21H22ClN3O2S MolecularWeight: 415.93628

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3Cl)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=C(C=C(C=C3Cl)C)C

InChI

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