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

Systemtic Name: 2-[7-chloranyl-3-(2-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(propylcarbamoyl)ethanamide Openeye Name: 2-[7-chloro-3-(o-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide CAS Name: 2-[[7-chloro-3-(2-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-[oxo(propylamino)methyl]acetamide IUPAC Name: 2-[7-chloro-3-(2-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(propylcarbamoyl)acetamide Traditional Name: 2-[[7-chloro-4-keto-3-(o-tolyl)quinazolin-2-yl]thio]-N-(propylcarbamoyl)acetamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3C

Isomeric SMILES

CCCNC(=O)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3C

InChI

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