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

Systemtic Name: 2-[7-chloranyl-3-(2-methoxyphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide Openeye Name: 2-[7-chloro-3-(2-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide CAS Name: 2-[[7-chloro-3-(2-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-(ethylcarbamoyl)propanamide IUPAC Name: 2-[7-chloro-3-(2-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide Traditional Name: 2-[[7-chloro-4-keto-3-(2-methoxyphenyl)quinazolin-2-yl]thio]-N-(ethylcarbamoyl)propionamide Formula: C21H21ClN4O4S MolecularWeight: 460.93384

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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=C3OC

Isomeric SMILES

CCNC(=O)NC(=O)C(C)SC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC=C3OC

InChI

InChI=1S/C21H21ClN4O4S/c1-4-23-20(29)25-18(27)12(2)31-21-24-15-11-13(22)9-10-14(15)19(28)26(21)16-7-5-6-8-17(16)30-3/h5-12H,4H2,1-3H3,(H2,23,25,27,29)