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

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxidanylidene-N-propan-2-yl-quinazoline-7-carboxamide Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanyl]-N-isopropyl-3-(4-methoxyphenyl)-4-oxo-quinazoline-7-carboxamide CAS Name: 2-[(2-chloro-4-fluorophenyl)methylthio]-3-(4-methoxyphenyl)-4-oxo-N-propan-2-yl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxo-N-propan-2-ylquinazoline-7-carboxamide Traditional Name: 2-[(2-chloro-4-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=C(C=C3)F)Cl)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=C(C=C3)F)Cl)C4=CC=C(C=C4)OC

InChI

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