2-[(2-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2-chlorophenyl)methylthio]-3-(3-fluorophenyl)-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chlorophenyl)methylsulfanyl]-3-(3-fluorophenyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-[(2-chlorobenzyl)thio]-3-(3-fluorophenyl)-4-keto-N-propyl-quinazoline-7-carboxamide Formula: C25H21ClFN3O2S MolecularWeight: 481.969543

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3Cl)C4=CC(=CC=C4)F

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3Cl)C4=CC(=CC=C4)F

InChI

InChI=1S/C25H21ClFN3O2S/c1-2-12-28-23(31)16-10-11-20-22(13-16)29-25(33-15-17-6-3-4-9-21(17)26)30(24(20)32)19-8-5-7-18(27)14-19/h3-11,13-14H,2,12,15H2,1H3,(H,28,31)