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

Systemtic Name: N-[(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-N-propyl-ethanamide Openeye Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-N-propyl-acetamide CAS Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-2-[(4-fluorophenyl)methylthio]-N-propylacetamide IUPAC Name: N-[(7-chloro-4-oxo-1H-quinazolin-2-yl)methyl]-2-[(4-fluorophenyl)methylsulfanyl]-N-propylacetamide Traditional Name: N-[(7-chloro-4-keto-1H-quinazolin-2-yl)methyl]-2-[(4-fluorobenzyl)thio]-N-propyl-acetamide Formula: C21H21ClFN3O2S MolecularWeight: 433.926743

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CSCC3=CC=C(C=C3)F

Isomeric SMILES

CCCN(CC1=NC(=O)C2=C(N1)C=C(C=C2)Cl)C(=O)CSCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21ClFN3O2S/c1-2-9-26(20(27)13-29-12-14-3-6-16(23)7-4-14)11-19-24-18-10-15(22)5-8-17(18)21(28)25-19/h3-8,10H,2,9,11-13H2,1H3,(H,24,25,28)