N-(1-cyanocyclohexyl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[3-[(4-methylphenyl)methyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[4-oxo-3-(p-tolylmethyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[[3-[(4-methylphenyl)methyl]-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[3-[(4-methylphenyl)methyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[4-keto-3-(4-methylbenzyl)quinazolin-2-yl]thio]propionamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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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)NC4(CCCCC4)C#N

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4(CCCCC4)C#N

InChI

InChI=1S/C26H28N4O2S/c1-18-10-12-20(13-11-18)16-30-24(32)21-8-4-5-9-22(21)28-25(30)33-19(2)23(31)29-26(17-27)14-6-3-7-15-26/h4-5,8-13,19H,3,6-7,14-16H2,1-2H3,(H,29,31)