3-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl-phenyl-amino]propanamide

Systemtic Name: 3-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl-phenyl-amino]propanamide Openeye Name: 3-(N-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]anilino)propanamide CAS Name: 3-(N-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]anilino)propanamide IUPAC Name: 3-(N-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]anilino)propanamide Traditional Name: 3-(N-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]anilino)propionamide Formula: C22H21ClN4O3S MolecularWeight: 456.94514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21ClN4O3S/c1-2-11-27-21(30)17-9-8-15(23)13-18(17)25-22(27)31-14-20(29)26(12-10-19(24)28)16-6-4-3-5-7-16/h2-9,13H,1,10-12,14H2,(H2,24,28)