N-(4-butan-2-ylphenyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-butan-2-ylphenyl)-2-(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(4-sec-butylphenyl)acetamide CAS Name: N-(4-butan-2-ylphenyl)-2-[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]acetamide IUPAC Name: N-(4-butan-2-ylphenyl)-2-(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]-N-(4-sec-butylphenyl)acetamide Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C25H29N3O2S/c1-3-17(2)18-12-14-19(15-13-18)26-23(29)16-31-25-27-22-11-7-6-10-21(22)24(30)28(25)20-8-4-5-9-20/h6-7,10-15,17,20H,3-5,8-9,16H2,1-2H3,(H,26,29)