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

Systemtic Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxidanylidene-N-propyl-quinazoline-7-carboxamide Openeye Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxo-N-propyl-quinazoline-7-carboxamide CAS Name: 2-[(2-fluorophenyl)methylthio]-3-(4-methoxyphenyl)-4-oxo-N-propyl-7-quinazolinecarboxamide IUPAC Name: 2-[(2-fluorophenyl)methylsulfanyl]-3-(4-methoxyphenyl)-4-oxo-N-propylquinazoline-7-carboxamide Traditional Name: 2-[(2-fluorobenzyl)thio]-4-keto-3-(4-methoxyphenyl)-N-propyl-quinazoline-7-carboxamide Formula: C26H24FN3O3S MolecularWeight: 477.550463

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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=C3F)C4=CC=C(C=C4)OC

Isomeric SMILES

CCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=CC=C3F)C4=CC=C(C=C4)OC

InChI

InChI=1S/C26H24FN3O3S/c1-3-14-28-24(31)17-8-13-21-23(15-17)29-26(34-16-18-6-4-5-7-22(18)27)30(25(21)32)19-9-11-20(33-2)12-10-19/h4-13,15H,3,14,16H2,1-2H3,(H,28,31)