2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]ethanamide

Systemtic Name: 2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(benzylcarbamoyl)acetamide CAS Name: N-[oxo-[(phenylmethyl)amino]methyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-(benzylcarbamoyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(benzylcarbamoyl)acetamide Formula: C21H20N4O3S MolecularWeight: 408.4735

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C21H20N4O3S/c1-2-12-25-19(27)16-10-6-7-11-17(16)23-21(25)29-14-18(26)24-20(28)22-13-15-8-4-3-5-9-15/h2-11H,1,12-14H2,(H2,22,24,26,28)