N-(cyclopropylcarbamoyl)-2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(cyclopropylcarbamoyl)-2-[3-(2,5-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(cyclopropylcarbamoyl)-2-[3-(2,5-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-[(cyclopropylamino)-oxomethyl]-2-[[3-(2,5-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]acetamide IUPAC Name: N-(cyclopropylcarbamoyl)-2-[3-(2,5-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide Traditional Name: N-(cyclopropylcarbamoyl)-2-[[3-(2,5-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]acetamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NC4CC4

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC(=O)NC4CC4

InChI

InChI=1S/C22H22N4O3S/c1-13-7-8-14(2)18(11-13)26-20(28)16-5-3-4-6-17(16)24-22(26)30-12-19(27)25-21(29)23-15-9-10-15/h3-8,11,15H,9-10,12H2,1-2H3,(H2,23,25,27,29)