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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]propionamide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C25H28N4O2S/c1-16(2)25(5,15-26)28-22(30)18(4)32-24-27-21-9-7-6-8-20(21)23(31)29(24)14-19-12-10-17(3)11-13-19/h6-13,16,18H,14H2,1-5H3,(H,28,30)