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

Systemtic Name: 3-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl-(phenylmethyl)amino]propanamide Openeye Name: 3-[[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]-benzyl-amino]propanamide CAS Name: 3-[[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]-(phenylmethyl)amino]propanamide IUPAC Name: 3-[benzyl-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]propanamide Traditional Name: 3-[[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]-benzyl-amino]propionamide Formula: C23H23ClN4O3S MolecularWeight: 470.97172

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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)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H23ClN4O3S/c1-2-11-28-22(31)18-9-8-17(24)13-19(18)26-23(28)32-15-21(30)27(12-10-20(25)29)14-16-6-4-3-5-7-16/h2-9,13H,1,10-12,14-15H2,(H2,25,29)