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

Systemtic Name: 2-(3-butan-2-yl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)-2-phenyl-ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-(4-oxo-3-sec-butyl-quinazolin-2-yl)sulfanyl-2-phenyl-acetamide CAS Name: 2-[(3-butan-2-yl-4-oxo-2-quinazolinyl)thio]-N-(3,5-dimethylphenyl)-2-phenylacetamide IUPAC Name: 2-(3-butan-2-yl-4-oxoquinazolin-2-yl)sulfanyl-N-(3,5-dimethylphenyl)-2-phenylacetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(4-keto-3-sec-butyl-quinazolin-2-yl)thio]-2-phenyl-acetamide Formula: C28H29N3O2S MolecularWeight: 471.61376

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C)C

Isomeric SMILES

CCC(C)N1C(=O)C2=CC=CC=C2N=C1SC(C3=CC=CC=C3)C(=O)NC4=CC(=CC(=C4)C)C

InChI

InChI=1S/C28H29N3O2S/c1-5-20(4)31-27(33)23-13-9-10-14-24(23)30-28(31)34-25(21-11-7-6-8-12-21)26(32)29-22-16-18(2)15-19(3)17-22/h6-17,20,25H,5H2,1-4H3,(H,29,32)