5-bromanyl-2-butoxy-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-butoxy-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-butoxy-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-butoxy-N-[[4-(2-cyclohexylethoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-butoxy-N-[[4-(2-cyclohexylethoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-butoxy-N-[[4-(2-cyclohexylethoxy)phenyl]thiocarbamoyl]benzamide Formula: C26H33BrN2O3S MolecularWeight: 533.52082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC3CCCCC3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)OCCC3CCCCC3

InChI

InChI=1S/C26H33BrN2O3S/c1-2-3-16-32-24-14-9-20(27)18-23(24)25(30)29-26(33)28-21-10-12-22(13-11-21)31-17-15-19-7-5-4-6-8-19/h9-14,18-19H,2-8,15-17H2,1H3,(H2,28,29,30,33)