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

Systemtic Name: (2R)-N-cycloheptyl-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: (2R)-2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-cycloheptyl-propanamide CAS Name: (2R)-N-cycloheptyl-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-cycloheptyl-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-cycloheptyl-propionamide Formula: C21H27N3O2S MolecularWeight: 385.52298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

C[C@H](C(=O)NC1CCCCCC1)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C21H27N3O2S/c1-3-14-24-20(26)17-12-8-9-13-18(17)23-21(24)27-15(2)19(25)22-16-10-6-4-5-7-11-16/h3,8-9,12-13,15-16H,1,4-7,10-11,14H2,2H3,(H,22,25)/t15-/m1/s1