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

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-[4-oxidanylidene-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanyl-propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[[4-oxo-3-(3-phenylpropyl)-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-[4-oxo-3-(3-phenylpropyl)quinazolin-2-yl]sulfanylpropanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[[4-keto-3-(3-phenylpropyl)quinazolin-2-yl]thio]propionamide Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1CCCC3=CC=CC=C3

InChI

InChI=1S/C26H30N4O2S/c1-18(2)26(4,17-27)29-23(31)19(3)33-25-28-22-15-9-8-14-21(22)24(32)30(25)16-10-13-20-11-6-5-7-12-20/h5-9,11-12,14-15,18-19H,10,13,16H2,1-4H3,(H,29,31)