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

Systemtic Name: 2-[3-(3-chloranyl-4-methoxy-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide Openeye Name: 2-[3-(3-chloro-4-methoxy-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide CAS Name: 2-[[3-(3-chloro-4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]-N-(ethylcarbamoyl)propanamide IUPAC Name: 2-[3-(3-chloro-4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)propanamide Traditional Name: 2-[[3-(3-chloro-4-methoxy-phenyl)-4-keto-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=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)Cl

Isomeric SMILES

CCNC(=O)NC(=O)C(C)SC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)OC)Cl

InChI

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