2-tert-butylsulfanyl-N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-propyl-ethanamide

Systemtic Name: 2-tert-butylsulfanyl-N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-propyl-ethanamide Openeye Name: 2-tert-butylsulfanyl-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-propyl-acetamide CAS Name: 2-(tert-butylthio)-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-propylacetamide IUPAC Name: 2-tert-butylsulfanyl-N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-N-propylacetamide Traditional Name: 2-(tert-butylthio)-N-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-N-propyl-acetamide Formula: C18H24ClN3O2S MolecularWeight: 381.92006

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CSC(C)(C)C

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CSC(C)(C)C

InChI

InChI=1S/C18H24ClN3O2S/c1-5-8-22(16(23)11-25-18(2,3)4)10-15-20-14-9-12(19)6-7-13(14)17(24)21-15/h6-7,9H,5,8,10-11H2,1-4H3,(H,20,21,24)