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

Systemtic Name: (2R)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide Openeye Name: (2R)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide CAS Name: (2R)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-[(1S,2S)-2-methylcyclohexyl]propanamide IUPAC Name: (2R)-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-[(1S,2S)-2-methylcyclohexyl]propanamide Traditional Name: (2R)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-[(1S,2S)-2-methylcyclohexyl]propionamide Formula: C21H26ClN3O2S MolecularWeight: 419.96804

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCC1NC(=O)C(C)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

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