2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide

Systemtic Name: 2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-6-fluorophenyl)methylthio]-3-(3-methoxyphenyl)-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-3-(3-methoxyphenyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-6-fluoro-benzyl)thio]-4-keto-3-(3-methoxyphenyl)-N-propyl-quinazoline-7-carboxamide Formula: C26H23ClFN3O3S MolecularWeight: 511.995523

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClFN3O3S/c1-3-12-29-24(32)16-10-11-19-23(13-16)30-26(35-15-20-21(27)8-5-9-22(20)28)31(25(19)33)17-6-4-7-18(14-17)34-2/h4-11,13-14H,3,12,15H2,1-2H3,(H,29,32)