2-[7-chloranyl-4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)ethanamide

Systemtic Name: 2-[7-chloranyl-4-oxidanylidene-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)ethanamide Openeye Name: 2-[7-chloro-3-(2-isopropylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide CAS Name: 2-[[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)-2-quinazolinyl]thio]-N-(methylcarbamoyl)acetamide IUPAC Name: 2-[7-chloro-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-2-yl]sulfanyl-N-(methylcarbamoyl)acetamide Traditional Name: 2-[(7-chloro-4-keto-3-o-cumenyl-quinazolin-2-yl)thio]-N-(methylcarbamoyl)acetamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC(=O)NC

Isomeric SMILES

CC(C)C1=CC=CC=C1N2C(=O)C3=C(C=C(C=C3)Cl)N=C2SCC(=O)NC(=O)NC

InChI

InChI=1S/C21H21ClN4O3S/c1-12(2)14-6-4-5-7-17(14)26-19(28)15-9-8-13(22)10-16(15)24-21(26)30-11-18(27)25-20(29)23-3/h4-10,12H,11H2,1-3H3,(H2,23,25,27,29)