N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanyl-ethanamide Openeye Name: 2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanyl-N-[(2,4-dimethylphenyl)carbamoyl]acetamide CAS Name: N-[(2,4-dimethylanilino)-oxomethyl]-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]acetamide IUPAC Name: N-[(2,4-dimethylphenyl)carbamoyl]-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetamide Traditional Name: 2-[(3-allyl-4-keto-quinazolin-2-yl)thio]-N-[(2,4-dimethylphenyl)carbamoyl]acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC(=O)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C

InChI

InChI=1S/C22H22N4O3S/c1-4-11-26-20(28)16-7-5-6-8-18(16)24-22(26)30-13-19(27)25-21(29)23-17-10-9-14(2)12-15(17)3/h4-10,12H,1,11,13H2,2-3H3,(H2,23,25,27,29)