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

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-bromanyl-2-methoxy-benzamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-bromo-2-methoxy-benzamide CAS Name: N-[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]-5-bromo-2-methoxybenzamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-5-bromo-2-methoxybenzamide Traditional Name: N-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoyl]-5-bromo-2-methoxy-benzamide Formula: C17H11BrF6N2O2S MolecularWeight: 501.240859

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C17H11BrF6N2O2S/c1-28-13-3-2-10(18)7-12(13)14(27)26-15(29)25-11-5-8(16(19,20)21)4-9(6-11)17(22,23)24/h2-7H,1H3,(H2,25,26,27,29)