N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-4-bromanyl-3-methoxy-naphthalene-2-carboxamide

Systemtic Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-4-bromanyl-3-methoxy-naphthalene-2-carboxamide Openeye Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-4-bromo-3-methoxy-naphthalene-2-carboxamide CAS Name: N-[[3,5-bis(trifluoromethyl)anilino]-sulfanylidenemethyl]-4-bromo-3-methoxy-2-naphthalenecarboxamide IUPAC Name: N-[[3,5-bis(trifluoromethyl)phenyl]carbamothioyl]-4-bromo-3-methoxynaphthalene-2-carboxamide Traditional Name: N-[[3,5-bis(trifluoromethyl)phenyl]thiocarbamoyl]-4-bromo-3-methoxy-2-naphthamide Formula: C21H13BrF6N2O2S MolecularWeight: 551.299539

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Br

Isomeric SMILES

COC1=C(C2=CC=CC=C2C=C1C(=O)NC(=S)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)Br

InChI

InChI=1S/C21H13BrF6N2O2S/c1-32-17-15(6-10-4-2-3-5-14(10)16(17)22)18(31)30-19(33)29-13-8-11(20(23,24)25)7-12(9-13)21(26,27)28/h2-9H,1H3,(H2,29,30,31,33)