N-(2-cyano-3-methyl-butan-2-yl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-cyano-3-methyl-butan-2-yl)-2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: N-(1-cyano-1,2-dimethyl-propyl)-2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2-cyano-3-methylbutan-2-yl)-2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-cyano-3-methylbutan-2-yl)-2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylpropanamide Traditional Name: N-(1-cyano-1,2-dimethyl-propyl)-2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]propionamide Formula: C23H32N4O2S MolecularWeight: 428.59078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SC(C)C(=O)NC(C)(C#N)C(C)C

InChI

InChI=1S/C23H32N4O2S/c1-6-7-8-11-14-27-21(29)18-12-9-10-13-19(18)25-22(27)30-17(4)20(28)26-23(5,15-24)16(2)3/h9-10,12-13,16-17H,6-8,11,14H2,1-5H3,(H,26,28)