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

Systemtic Name: N-(2-methylphenyl)-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-propanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-(o-tolyl)propanamide CAS Name: N-(2-methylphenyl)-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]propanamide IUPAC Name: N-(2-methylphenyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-(o-tolyl)propionamide Formula: C21H21N3O2S MolecularWeight: 379.47534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

Isomeric SMILES

CC1=CC=CC=C1NC(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC=C

InChI

InChI=1S/C21H21N3O2S/c1-4-13-24-20(26)16-10-6-8-12-18(16)23-21(24)27-15(3)19(25)22-17-11-7-5-9-14(17)2/h4-12,15H,1,13H2,2-3H3,(H,22,25)