N-(3,5-dimethylphenyl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-(4-oxidanylidene-3-propyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-(4-oxo-3-propyl-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[(4-oxo-3-propyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(4-keto-3-propyl-quinazolin-2-yl)thio]acetamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C21H23N3O2S/c1-4-9-24-20(26)17-7-5-6-8-18(17)23-21(24)27-13-19(25)22-16-11-14(2)10-15(3)12-16/h5-8,10-12H,4,9,13H2,1-3H3,(H,22,25)