N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2,5-dimethoxy-phenyl]-2-fluoranyl-benzamide

Systemtic Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2,5-dimethoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2,5-dimethoxy-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[1-(4-cyanophenyl)ethylamino]-sulfanylidenemethyl]amino]-2,5-dimethoxyphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[1-(4-cyanophenyl)ethylcarbamothioylamino]-2,5-dimethoxyphenyl]-2-fluorobenzamide Traditional Name: N-[4-[1-(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:

CC(C1=CC=C(C=C1)C#N)NC(=S)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3F)OC

Isomeric SMILES

CC(C1=CC=C(C=C1)C#N)NC(=S)NC2=C(C=C(C(=C2)OC)NC(=O)C3=CC=CC=C3F)OC

InChI

InChI=1S/C25H23FN4O3S/c1-15(17-10-8-16(14-27)9-11-17)28-25(34)30-21-13-22(32-2)20(12-23(21)33-3)29-24(31)18-6-4-5-7-19(18)26/h4-13,15H,1-3H3,(H,29,31)(H2,28,30,34)