2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(4-cyanophenyl)carbamoyl]propanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(4-cyanophenyl)carbamoyl]propanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[(4-cyanophenyl)carbamoyl]propanamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[(4-cyanoanilino)-oxomethyl]propanamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(4-cyanophenyl)carbamoyl]propanamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-[(4-cyanophenyl)carbamoyl]propionamide Formula: C22H18ClN5O3S MolecularWeight: 467.92802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18ClN5O3S/c1-3-10-28-20(30)17-9-6-15(23)11-18(17)26-22(28)32-13(2)19(29)27-21(31)25-16-7-4-14(12-24)5-8-16/h3-9,11,13H,1,10H2,2H3,(H2,25,27,29,31)