(2R)-N-[(2-chlorophenyl)methyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide

Systemtic Name: (2R)-N-[(2-chlorophenyl)methyl]-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-[(2-chlorophenyl)methyl]propanamide CAS Name: (2R)-N-[(2-chlorophenyl)methyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-[(2-chlorophenyl)methyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(2-chlorobenzyl)propionamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1Cl)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1Cl)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C21H20ClN3O2S/c1-3-12-25-20(27)16-9-5-7-11-18(16)24-21(25)28-14(2)19(26)23-13-15-8-4-6-10-17(15)22/h3-11,14H,1,12-13H2,2H3,(H,23,26)/t14-/m1/s1