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

Systemtic Name: N-[4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-2,5-dimethoxy-phenyl]-2-fluoranyl-benzamide Openeye Name: N-[4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-2,5-dimethoxy-phenyl]-2-fluoro-benzamide CAS Name: N-[4-[[[[1-(4-cyanophenyl)ethylthio]amino]-oxomethyl]amino]-2,5-dimethoxyphenyl]-2-fluorobenzamide IUPAC Name: N-[4-[1-(4-cyanophenyl)ethylsulfanylcarbamoylamino]-2,5-dimethoxyphenyl]-2-fluorobenzamide Traditional Name: N-[4-[[1-(4-cyanophenyl)ethylthio]carbamoylamino]-2,5-dimethoxy-phenyl]-2-fluoro-benzamide Formula: C25H23FN4O4S MolecularWeight: 494.537923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23FN4O4S/c1-15(17-10-8-16(14-27)9-11-17)35-30-25(32)29-21-13-22(33-2)20(12-23(21)34-3)28-24(31)18-6-4-5-7-19(18)26/h4-13,15H,1-3H3,(H,28,31)(H2,29,30,32)