N-(3,5-dimethylphenyl)-2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(3,5-dimethylphenyl)-2-[4-oxidanylidene-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[3-(4-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[[4-oxo-3-(4-propan-2-ylphenyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[4-oxo-3-(4-propan-2-ylphenyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(4-keto-3-p-cumenyl-quinazolin-2-yl)thio]acetamide Formula: C27H27N3O2S MolecularWeight: 457.58718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(C)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)C(C)C)C

InChI

InChI=1S/C27H27N3O2S/c1-17(2)20-9-11-22(12-10-20)30-26(32)23-7-5-6-8-24(23)29-27(30)33-16-25(31)28-21-14-18(3)13-19(4)15-21/h5-15,17H,16H2,1-4H3,(H,28,31)