4-fluoranyl-3-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-(phenylmethyl)-1-benzothiophene-2-carboxamide

Systemtic Name: 4-fluoranyl-3-methyl-N-[(4-oxidanylidene-1H-quinazolin-2-yl)methyl]-N-(phenylmethyl)-1-benzothiophene-2-carboxamide Openeye Name: N-benzyl-4-fluoro-3-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]benzothiophene-2-carboxamide CAS Name: 4-fluoro-3-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-N-(phenylmethyl)-1-benzothiophene-2-carboxamide IUPAC Name: N-benzyl-4-fluoro-3-methyl-N-[(4-oxo-1H-quinazolin-2-yl)methyl]-1-benzothiophene-2-carboxamide Traditional Name: N-benzyl-4-fluoro-N-[(4-keto-1H-quinazolin-2-yl)methyl]-3-methyl-benzothiophene-2-carboxamide Formula: C26H20FN3O2S MolecularWeight: 457.519303

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=CC=CC(=C12)F)C(=O)N(CC3=CC=CC=C3)CC4=NC(=O)C5=CC=CC=C5N4

Isomeric SMILES

CC1=C(SC2=CC=CC(=C12)F)C(=O)N(CC3=CC=CC=C3)CC4=NC(=O)C5=CC=CC=C5N4

InChI

InChI=1S/C26H20FN3O2S/c1-16-23-19(27)11-7-13-21(23)33-24(16)26(32)30(14-17-8-3-2-4-9-17)15-22-28-20-12-6-5-10-18(20)25(31)29-22/h2-13H,14-15H2,1H3,(H,28,29,31)