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

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-cyclohexyl-propanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-cyclohexyl-propanamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-cyclohexylpropanamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-cyclohexylpropanamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-cyclohexyl-propionamide Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

CC(C(=O)NC1CCCCC1)SC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C20H24ClN3O2S/c1-3-11-24-19(26)16-10-9-14(21)12-17(16)23-20(24)27-13(2)18(25)22-15-7-5-4-6-8-15/h3,9-10,12-13,15H,1,4-8,11H2,2H3,(H,22,25)