N-[1-[[2,3-bis(fluoranyl)phenyl]carbamothioylamino]-2,2,2-tris(fluoranyl)ethyl]-4-methyl-benzamide

Systemtic Name: N-[1-[[2,3-bis(fluoranyl)phenyl]carbamothioylamino]-2,2,2-tris(fluoranyl)ethyl]-4-methyl-benzamide Openeye Name: N-[1-[(2,3-difluorophenyl)carbamothioylamino]-2,2,2-trifluoro-ethyl]-4-methyl-benzamide CAS Name: N-[1-[[(2,3-difluoroanilino)-sulfanylidenemethyl]amino]-2,2,2-trifluoroethyl]-4-methylbenzamide IUPAC Name: N-[1-[(2,3-difluorophenyl)carbamothioylamino]-2,2,2-trifluoroethyl]-4-methylbenzamide Traditional Name: N-[1-[(2,3-difluorophenyl)thiocarbamoylamino]-2,2,2-trifluoro-ethyl]-4-methyl-benzamide Formula: C17H14F5N3OS MolecularWeight: 403.369576

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(F)(F)F)NC(=S)NC2=C(C(=CC=C2)F)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(F)(F)F)NC(=S)NC2=C(C(=CC=C2)F)F

InChI

InChI=1S/C17H14F5N3OS/c1-9-5-7-10(8-6-9)14(26)24-15(17(20,21)22)25-16(27)23-12-4-2-3-11(18)13(12)19/h2-8,15H,1H3,(H,24,26)(H2,23,25,27)