N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2-ethoxy-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2-ethoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2-ethoxy-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[1-(4-cyanophenyl)ethylamino]-sulfanylidenemethyl]amino]-2-ethoxyphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2-ethoxyphenyl]-2-fluorobenzamide Traditional Name: N-[4-[1-(4-cyanophenyl)ethylthiocarbamoylamino]-2-ethoxy-phenyl]-2-fluoro-benzamide Formula: C25H23FN4O2S MolecularWeight: 462.539123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)NC(=S)NC(C)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=C(C=CC(=C1)NC(=S)NC(C)C2=CC=C(C=C2)C#N)NC(=O)C3=CC=CC=C3F

InChI

InChI=1S/C25H23FN4O2S/c1-3-32-23-14-19(12-13-22(23)30-24(31)20-6-4-5-7-21(20)26)29-25(33)28-16(2)18-10-8-17(15-27)9-11-18/h4-14,16H,3H2,1-2H3,(H,30,31)(H2,28,29,33)