N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(1-cyanocyclohexyl)-2-[[3-(3,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(1-cyanocyclohexyl)-2-[3-(3,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1-cyanocyclohexyl)-2-[[3-(3,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]propionamide Formula: C26H28N4O2S MolecularWeight: 460.59112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4(CCCCC4)C#N)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=O)C3=CC=CC=C3N=C2SC(C)C(=O)NC4(CCCCC4)C#N)C

InChI

InChI=1S/C26H28N4O2S/c1-17-13-18(2)15-20(14-17)30-24(32)21-9-5-6-10-22(21)28-25(30)33-19(3)23(31)29-26(16-27)11-7-4-8-12-26/h5-6,9-10,13-15,19H,4,7-8,11-12H2,1-3H3,(H,29,31)