N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(2-methyl-4-oxidanylidene-pentan-2-yl)-3-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 3-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(1,1-dimethyl-3-oxo-butyl)propanamide CAS Name: N-(2-methyl-4-oxopentan-2-yl)-3-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-methyl-4-oxopentan-2-yl)-3-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 3-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(3-keto-1,1-dimethyl-butyl)propionamide Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(C)(C)NC(=O)CCSC1=NC2=CC=CC=C2C(=O)N1CC=C

Isomeric SMILES

CC(=O)CC(C)(C)NC(=O)CCSC1=NC2=CC=CC=C2C(=O)N1CC=C

InChI

InChI=1S/C20H25N3O3S/c1-5-11-23-18(26)15-8-6-7-9-16(15)21-19(23)27-12-10-17(25)22-20(3,4)13-14(2)24/h5-9H,1,10-13H2,2-4H3,(H,22,25)