N-[4-[2-(4-cyanophenyl)ethylcarbamothioylamino]-2,5-dimethoxy-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[2-(4-cyanophenyl)ethylcarbamothioylamino]-2,5-dimethoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[2-(4-cyanophenyl)ethylcarbamothioylamino]-2,5-dimethoxy-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[2-(4-cyanophenyl)ethylamino]-sulfanylidenemethyl]amino]-2,5-dimethoxyphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[2-(4-cyanophenyl)ethylcarbamothioylamino]-2,5-dimethoxyphenyl]-2-fluorobenzamide Traditional Name: N-[4-[2-(4-cyanophenyl)ethylthiocarbamoylamino]-2,5-dimethoxy-phenyl]-2-fluoro-benzamide Formula: C25H23FN4O3S MolecularWeight: 478.538523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2F)OC)NC(=S)NCCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC(=C(C=C1NC(=O)C2=CC=CC=C2F)OC)NC(=S)NCCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C25H23FN4O3S/c1-32-22-14-21(30-25(34)28-12-11-16-7-9-17(15-27)10-8-16)23(33-2)13-20(22)29-24(31)18-5-3-4-6-19(18)26/h3-10,13-14H,11-12H2,1-2H3,(H,29,31)(H2,28,30,34)