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

Systemtic Name: (2R)-N-(4-methoxyphenyl)-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-(4-methoxyphenyl)propanamide CAS Name: (2R)-N-(4-methoxyphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: (2R)-N-(4-methoxyphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: (2R)-2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(4-methoxyphenyl)propionamide Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)OC)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=C(C=C1)OC)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C21H21N3O3S/c1-4-13-24-20(26)17-7-5-6-8-18(17)23-21(24)28-14(2)19(25)22-15-9-11-16(27-3)12-10-15/h4-12,14H,1,13H2,2-3H3,(H,22,25)/t14-/m1/s1