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

Systemtic Name: (2R)-2-(6-chloranyl-4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-N-(phenylmethyl)propanamide Openeye Name: (2R)-2-(3-allyl-6-chloro-4-oxo-quinazolin-2-yl)sulfanyl-N-benzyl-propanamide CAS Name: (2R)-2-[(6-chloro-4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]-N-(phenylmethyl)propanamide IUPAC Name: (2R)-N-benzyl-2-(6-chloro-4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(3-allyl-6-chloro-4-keto-quinazolin-2-yl)thio]-N-benzyl-propionamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CC=C1)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC=C

InChI

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