2-[7-chloranyl-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)ethanamide

Systemtic Name: 2-[7-chloranyl-3-(2,3-dimethylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)ethanamide Openeye Name: 2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide CAS Name: 2-[[7-chloro-3-(2,3-dimethylphenyl)-4-oxo-2-quinazolinyl]thio]-N-(ethylcarbamoyl)acetamide IUPAC Name: 2-[7-chloro-3-(2,3-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(ethylcarbamoyl)acetamide Traditional Name: 2-[[7-chloro-3-(2,3-dimethylphenyl)-4-keto-quinazolin-2-yl]thio]-N-(ethylcarbamoyl)acetamide Formula: C21H21ClN4O3S MolecularWeight: 444.93444

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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