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

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(methylcarbamoyl)propanamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-(methylcarbamoyl)propionamide Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O3S/c1-4-7-21-14(23)11-6-5-10(17)8-12(11)19-16(21)25-9(2)13(22)20-15(24)18-3/h4-6,8-9H,1,7H2,2-3H3,(H2,18,20,22,24)