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

Systemtic Name: 3-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoyl-(4-methoxyphenyl)amino]propanamide Openeye Name: 3-(N-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylacetyl]-4-methoxy-anilino)propanamide CAS Name: 3-(N-[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxoethyl]-4-methoxyanilino)propanamide IUPAC Name: 3-(N-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]-4-methoxyanilino)propanamide Traditional Name: 3-(N-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]acetyl]-4-methoxy-anilino)propionamide Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

COC1=CC=C(C=C1)N(CCC(=O)N)C(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C23H23ClN4O4S/c1-3-11-28-22(31)18-9-4-15(24)13-19(18)26-23(28)33-14-21(30)27(12-10-20(25)29)16-5-7-17(32-2)8-6-16/h3-9,13H,1,10-12,14H2,2H3,(H2,25,29)