2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]ethanamide

Systemtic Name: 2-(7-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]ethanamide Openeye Name: 2-(3-allyl-7-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide CAS Name: 2-[(7-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide IUPAC Name: 2-(7-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide Traditional Name: 2-[(3-allyl-7-chloro-4-keto-quinazolin-2-yl)thio]-N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]acetamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC(C1C)NC(=O)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2S/c1-4-10-25-20(27)16-9-8-15(22)11-18(16)24-21(25)28-12-19(26)23-17-7-5-6-13(2)14(17)3/h4,8-9,11,13-14,17H,1,5-7,10,12H2,2-3H3,(H,23,26)/t13-,14+,17+/m0/s1