N-(1-cyano-1-cyclopropyl-ethyl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(1-cyano-1-cyclopropylethyl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(1-cyano-1-cyclopropylethyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(1-cyano-1-cyclopropyl-ethyl)-2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]acetamide Formula: C24H24N4O2S MolecularWeight: 432.53796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)(C#N)C4CC4

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(C)(C#N)C4CC4

InChI

InChI=1S/C24H24N4O2S/c1-16-7-9-17(10-8-16)13-28-22(30)19-5-3-4-6-20(19)26-23(28)31-14-21(29)27-24(2,15-25)18-11-12-18/h3-10,18H,11-14H2,1-2H3,(H,27,29)