N-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide

Systemtic Name: N-[[2-chloranyl-5-(trifluoromethyl)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Openeye Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-3-methyl-benzofuran-2-carboxamide CAS Name: N-[[2-chloro-5-(trifluoromethyl)anilino]-sulfanylidenemethyl]-3-methyl-2-benzofurancarboxamide IUPAC Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]carbamothioyl]-3-methyl-1-benzofuran-2-carboxamide Traditional Name: N-[[2-chloro-5-(trifluoromethyl)phenyl]thiocarbamoyl]-3-methyl-coumarilamide Formula: C18H12ClF3N2O2S MolecularWeight: 412.81329

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)NC(=S)NC3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C18H12ClF3N2O2S/c1-9-11-4-2-3-5-14(11)26-15(9)16(25)24-17(27)23-13-8-10(18(20,21)22)6-7-12(13)19/h2-8H,1H3,(H2,23,24,25,27)