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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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