2-[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propan-2-yl-ethanamide

Systemtic Name: 2-[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-propan-2-yl-ethanamide Openeye Name: 2-[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-quinazolin-2-yl]sulfanyl-N-isopropyl-acetamide CAS Name: 2-[[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxo-2-quinazolinyl]thio]-N-propan-2-ylacetamide IUPAC Name: 2-[3-[2-(2,4-dichlorophenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanyl-N-propan-2-ylacetamide Traditional Name: 2-[[3-[2-(2,4-dichlorophenyl)ethyl]-4-keto-quinazolin-2-yl]thio]-N-isopropyl-acetamide Formula: C21H21Cl2N3O2S MolecularWeight: 450.38134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)NC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CCC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21Cl2N3O2S/c1-13(2)24-19(27)12-29-21-25-18-6-4-3-5-16(18)20(28)26(21)10-9-14-7-8-15(22)11-17(14)23/h3-8,11,13H,9-10,12H2,1-2H3,(H,24,27)