3-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]anilino)propanamide CAS Name: 3-(N-[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]anilino)propanamide IUPAC Name: 3-(N-[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]anilino)propanamide Traditional Name: 3-(N-[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]anilino)propionamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC(=O)N)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC(=O)N)C3=CC=CC=C3

InChI

InChI=1S/C22H22N4O3S/c1-2-13-26-21(29)17-10-6-7-11-18(17)24-22(26)30-15-20(28)25(14-12-19(23)27)16-8-4-3-5-9-16/h2-11H,1,12-15H2,(H2,23,27)