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

Systemtic Name: 2-[7-chloranyl-3-(4-chlorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-pentan-3-yl-ethanamide Openeye Name: 2-[7-chloro-3-(4-chlorophenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(1-ethylpropyl)acetamide CAS Name: 2-[[7-chloro-3-(4-chlorophenyl)-4-oxo-2-quinazolinyl]thio]-N-pentan-3-ylacetamide IUPAC Name: 2-[7-chloro-3-(4-chlorophenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-pentan-3-ylacetamide Traditional Name: 2-[[7-chloro-3-(4-chlorophenyl)-4-keto-quinazolin-2-yl]thio]-N-(1-ethylpropyl)acetamide Formula: C21H21Cl2N3O2S MolecularWeight: 450.38134

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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=C(C=C3)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H21Cl2N3O2S/c1-3-15(4-2)24-19(27)12-29-21-25-18-11-14(23)7-10-17(18)20(28)26(21)16-8-5-13(22)6-9-16/h5-11,15H,3-4,12H2,1-2H3,(H,24,27)