2-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)ethanamide Openeye Name: 2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[(cyclopropylamino)-oxomethyl]acetamide IUPAC Name: 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyclopropylcarbamoyl)acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(m-tolyl)quinazolin-2-yl]thio]-N-(cyclopropylcarbamoyl)acetamide Formula: C21H19ClN4O3S MolecularWeight: 442.91856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O3S/c1-12-3-2-4-15(9-12)26-19(28)16-8-5-13(22)10-17(16)24-21(26)30-11-18(27)25-20(29)23-14-6-7-14/h2-5,8-10,14H,6-7,11H2,1H3,(H2,23,25,27,29)