3-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-1-benzofuran-2-carboxamide

Systemtic Name: 3-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]carbothioyl-1-benzofuran-2-carboxamide Openeye Name: 3-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]benzofuran-2-carboxamide CAS Name: 3-methyl-N-[[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-benzofurancarboxamide IUPAC Name: 3-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]-1-benzofuran-2-carboxamide Traditional Name: 3-methyl-N-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazine-1-carbothioyl]coumarilamide Formula: C22H19F3N4O4S MolecularWeight: 492.47087

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)N3CCN(CC3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C22H19F3N4O4S/c1-13-15-4-2-3-5-18(15)33-19(13)20(30)26-21(34)28-10-8-27(9-11-28)16-7-6-14(22(23,24)25)12-17(16)29(31)32/h2-7,12H,8-11H2,1H3,(H,26,30,34)