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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)NC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3C

Isomeric SMILES

CCNC(=O)NC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3C

InChI

InChI=1S/C21H21ClN4O3S/c1-4-23-20(29)25-18(27)13(3)30-21-24-16-11-14(22)9-10-15(16)19(28)26(21)17-8-6-5-7-12(17)2/h5-11,13H,4H2,1-3H3,(H2,23,25,27,29)