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

Systemtic Name: 3-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: 3-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(benzylcarbamoyl)propanamide CAS Name: 3-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: N-(benzylcarbamoyl)-3-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 3-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(benzylcarbamoyl)propionamide Formula: C22H21ClN4O3S MolecularWeight: 456.94514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCC(=O)NC(=O)NCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCCC(=O)NC(=O)NCC3=CC=CC=C3

InChI

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