2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)propanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)propanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(isobutylcarbamoyl)propanamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[(2-methylpropylamino)-oxomethyl]propanamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-methylpropylcarbamoyl)propanamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(isobutylcarbamoyl)propionamide Formula: C19H23ClN4O3S MolecularWeight: 422.92892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)NC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC=C

Isomeric SMILES

CC(C)CNC(=O)NC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1CC=C

InChI

InChI=1S/C19H23ClN4O3S/c1-5-8-24-17(26)14-7-6-13(20)9-15(14)22-19(24)28-12(4)16(25)23-18(27)21-10-11(2)3/h5-7,9,11-12H,1,8,10H2,2-4H3,(H2,21,23,25,27)