(2R)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-cycloheptyl-propanamide

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

InChI=1S/C21H26ClN3O2S/c1-3-12-25-20(27)17-13-15(22)10-11-18(17)24-21(25)28-14(2)19(26)23-16-8-6-4-5-7-9-16/h3,10-11,13-14,16H,1,4-9,12H2,2H3,(H,23,26)/t14-/m1/s1