2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]ethanamide

Systemtic Name: 2-[1,3-bis(oxidanylidene)isoindol-2-yl]-N-[(3-fluoranyl-4-pentoxy-phenyl)carbamothioyl]ethanamide Openeye Name: 2-(1,3-dioxoisoindolin-2-yl)-N-[(3-fluoro-4-pentoxy-phenyl)carbamothioyl]acetamide CAS Name: 2-(1,3-dioxo-2-isoindolyl)-N-[(3-fluoro-4-pentoxyanilino)-sulfanylidenemethyl]acetamide IUPAC Name: 2-(1,3-dioxoisoindol-2-yl)-N-[(3-fluoro-4-pentoxyphenyl)carbamothioyl]acetamide Traditional Name: N-[(4-amoxy-3-fluoro-phenyl)thiocarbamoyl]-2-phthalimido-acetamide Formula: C22H22FN3O4S MolecularWeight: 443.491183

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)NC(=S)NC(=O)CN2C(=O)C3=CC=CC=C3C2=O)F

InChI

InChI=1S/C22H22FN3O4S/c1-2-3-6-11-30-18-10-9-14(12-17(18)23)24-22(31)25-19(27)13-26-20(28)15-7-4-5-8-16(15)21(26)29/h4-5,7-10,12H,2-3,6,11,13H2,1H3,(H2,24,25,27,31)