N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide

Systemtic Name: N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-propanamide Openeye Name: N-(1,1-dimethyl-3-oxo-butyl)-3-(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanyl-propanamide CAS Name: N-(2-methyl-4-oxopentan-2-yl)-3-[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]propanamide IUPAC Name: N-(2-methyl-4-oxopentan-2-yl)-3-[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide Traditional Name: 3-[(3-isobutyl-4-keto-quinazolin-2-yl)thio]-N-(3-keto-1,1-dimethyl-butyl)propionamide Formula: C21H29N3O3S MolecularWeight: 403.53826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC(C)(C)CC(=O)C

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2N=C1SCCC(=O)NC(C)(C)CC(=O)C

InChI

InChI=1S/C21H29N3O3S/c1-14(2)13-24-19(27)16-8-6-7-9-17(16)22-20(24)28-11-10-18(26)23-21(4,5)12-15(3)25/h6-9,14H,10-13H2,1-5H3,(H,23,26)