N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-bromanyl-2-methoxy-3-methyl-benzamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-bromo-2-methoxy-3-methyl-benzamide CAS Name: N-[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]-5-bromo-2-methoxy-3-methylbenzamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-bromo-2-methoxy-3-methylbenzamide Traditional Name: N-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoyl]-5-bromo-2-methoxy-3-methyl-benzamide Formula: C18H13BrF6N2O2S MolecularWeight: 515.267439

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13BrF6N2O2S/c1-8-3-11(19)7-13(14(8)29-2)15(28)27-16(30)26-12-5-9(17(20,21)22)4-10(6-12)18(23,24)25/h3-7H,1-2H3,(H2,26,27,28,30)