4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanoylamino]benzamide

Systemtic Name: 4-[2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylpropanoylamino]benzamide Openeye Name: 4-[2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanylpropanoylamino]benzamide CAS Name: 4-[[2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-1-oxopropyl]amino]benzamide IUPAC Name: 4-[2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanoylamino]benzamide Traditional Name: 4-[2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]propanoylamino]benzamide Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(=O)N)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H19ClN4O3S/c1-3-10-26-20(29)16-9-6-14(22)11-17(16)25-21(26)30-12(2)19(28)24-15-7-4-13(5-8-15)18(23)27/h3-9,11-12H,1,10H2,2H3,(H2,23,27)(H,24,28)