N-(2-tert-butylphenyl)-2-(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(2-tert-butylphenyl)-2-(4-oxidanylidene-3-pyridin-3-yl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: N-(2-tert-butylphenyl)-2-[4-oxo-3-(3-pyridyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-tert-butylphenyl)-2-[[4-oxo-3-(3-pyridinyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-tert-butylphenyl)-2-(4-oxo-3-pyridin-3-ylquinazolin-2-yl)sulfanylacetamide Traditional Name: N-(2-tert-butylphenyl)-2-[[4-keto-3-(3-pyridyl)quinazolin-2-yl]thio]acetamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CN=CC=C4

InChI

InChI=1S/C25H24N4O2S/c1-25(2,3)19-11-5-7-13-21(19)27-22(30)16-32-24-28-20-12-6-4-10-18(20)23(31)29(24)17-9-8-14-26-15-17/h4-15H,16H2,1-3H3,(H,27,30)