N-[4-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]phenyl]-2,2-dimethyl-propanamide

Systemtic Name: N-[4-[2-(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylethanoyl]phenyl]-2,2-dimethyl-propanamide Openeye Name: N-[4-[2-(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]phenyl]-2,2-dimethyl-propanamide CAS Name: N-[4-[2-[(3-hexyl-4-oxo-2-quinazolinyl)thio]-1-oxoethyl]phenyl]-2,2-dimethylpropanamide IUPAC Name: N-[4-[2-(3-hexyl-4-oxoquinazolin-2-yl)sulfanylacetyl]phenyl]-2,2-dimethylpropanamide Traditional Name: N-[4-[2-[(3-hexyl-4-keto-quinazolin-2-yl)thio]acetyl]phenyl]-2,2-dimethyl-propionamide Formula: C27H33N3O3S MolecularWeight: 479.63422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)NC(=O)C(C)(C)C

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=C(C=C3)NC(=O)C(C)(C)C

InChI

InChI=1S/C27H33N3O3S/c1-5-6-7-10-17-30-24(32)21-11-8-9-12-22(21)29-26(30)34-18-23(31)19-13-15-20(16-14-19)28-25(33)27(2,3)4/h8-9,11-16H,5-7,10,17-18H2,1-4H3,(H,28,33)