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

Systemtic Name: 3-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]-benzyl-amino]propanamide CAS Name: 3-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]propanamide Traditional Name: 3-[[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]-benzyl-amino]propionamide Formula: C23H24N4O3S MolecularWeight: 436.52666

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N(CCC(=O)N)CC3=CC=CC=C3

InChI

InChI=1S/C23H24N4O3S/c1-2-13-27-22(30)18-10-6-7-11-19(18)25-23(27)31-16-21(29)26(14-12-20(24)28)15-17-8-4-3-5-9-17/h2-11H,1,12-16H2,(H2,24,28)