N-(2-cyano-3-methyl-butan-2-yl)-2-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[4-oxidanylidene-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-oxo-3-(4-phenoxyphenyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-oxo-3-(4-phenoxyphenyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-keto-3-(4-phenoxyphenyl)quinazolin-2-yl]thio]acetamide Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1C3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C28H26N4O3S/c1-19(2)28(3,18-29)31-25(33)17-36-27-30-24-12-8-7-11-23(24)26(34)32(27)20-13-15-22(16-14-20)35-21-9-5-4-6-10-21/h4-16,19H,17H2,1-3H3,(H,31,33)