2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]ethanamide

Systemtic Name: 2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]ethanamide Openeye Name: 2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide CAS Name: 2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide IUPAC Name: 2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]acetamide Traditional Name: 2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-[(1S,2S)-2-methylcyclohexyl]acetamide Formula: C20H24ClN3O2S MolecularWeight: 405.94146

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)CSC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C20H24ClN3O2S/c1-3-10-24-19(26)15-11-14(21)8-9-17(15)23-20(24)27-12-18(25)22-16-7-5-4-6-13(16)2/h3,8-9,11,13,16H,1,4-7,10,12H2,2H3,(H,22,25)/t13-,16-/m0/s1