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

Systemtic Name: N-(3-chloranyl-2,6-diethyl-phenyl)-2-(3,6-dimethyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-2,6-diethyl-phenyl)-2-(3,6-dimethyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3-chloro-2,6-diethylphenyl)-2-[(3,6-dimethyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3-chloro-2,6-diethylphenyl)-2-(3,6-dimethyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-2,6-diethyl-phenyl)-2-[(4-keto-3,6-dimethyl-quinazolin-2-yl)thio]acetamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24ClN3O2S/c1-5-14-8-9-17(23)15(6-2)20(14)25-19(27)12-29-22-24-18-10-7-13(3)11-16(18)21(28)26(22)4/h7-11H,5-6,12H2,1-4H3,(H,25,27)