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

Systemtic Name: N-[(3-chlorophenyl)methyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(3-chlorophenyl)methyl]acetamide CAS Name: N-[(3-chlorophenyl)methyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(3-chlorophenyl)methyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(3-chlorobenzyl)acetamide Formula: C20H18ClN3O2S MolecularWeight: 399.89382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClN3O2S/c1-2-10-24-19(26)16-8-3-4-9-17(16)23-20(24)27-13-18(25)22-12-14-6-5-7-15(21)11-14/h2-9,11H,1,10,12-13H2,(H,22,25)