N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethyl-benzamide CAS Name: N-[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]-3,5-dimethylbenzamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-3,5-dimethylbenzamide Traditional Name: N-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoyl]-3,5-dimethyl-benzamide Formula: C18H14F6N2OS MolecularWeight: 420.371979

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14F6N2OS/c1-9-3-10(2)5-11(4-9)15(27)26-16(28)25-14-7-12(17(19,20)21)6-13(8-14)18(22,23)24/h3-8H,1-2H3,(H2,25,26,27,28)