2-(3-cycloheptyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-ethanoylphenyl)ethanamide

Systemtic Name: 2-(3-cycloheptyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(4-ethanoylphenyl)ethanamide Openeye Name: N-(4-acetylphenyl)-2-(3-cycloheptyl-4-oxo-quinazolin-2-yl)sulfanyl-acetamide CAS Name: N-(4-acetylphenyl)-2-[(3-cycloheptyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-acetylphenyl)-2-(3-cycloheptyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(4-acetylphenyl)-2-[(3-cycloheptyl-4-keto-quinazolin-2-yl)thio]acetamide Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCCCC4

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCCCC4

InChI

InChI=1S/C25H27N3O3S/c1-17(29)18-12-14-19(15-13-18)26-23(30)16-32-25-27-22-11-7-6-10-21(22)24(31)28(25)20-8-4-2-3-5-9-20/h6-7,10-15,20H,2-5,8-9,16H2,1H3,(H,26,30)