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

Systemtic Name: 2-[7-chloranyl-3-(3-methylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentan-3-yl-ethanamide Openeye Name: 2-[7-chloro-3-(m-tolyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-ethylpropyl)acetamide CAS Name: 2-[[7-chloro-3-(3-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[7-chloro-3-(3-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide Traditional Name: 2-[[7-chloro-4-keto-3-(m-tolyl)quinazolin-2-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C22H24ClN3O2S MolecularWeight: 429.96286

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC(=C3)C

Isomeric SMILES

CCC(CC)NC(=O)CSC1=NC2=C(C=CC(=C2)Cl)C(=O)N1C3=CC=CC(=C3)C

InChI

InChI=1S/C22H24ClN3O2S/c1-4-16(5-2)24-20(27)13-29-22-25-19-12-15(23)9-10-18(19)21(28)26(22)17-8-6-7-14(3)11-17/h6-12,16H,4-5,13H2,1-3H3,(H,24,27)