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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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