3-bromanyl-4-hexoxy-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 3-bromo-4-hexoxy-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 3-bromo-4-hexoxy-N-[[2-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[2-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 3-bromo-4-hexoxy-N-[[2-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C29H33BrN2O3S MolecularWeight: 569.55292

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCCCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC=C2OCCCC3=CC=CC=C3)Br

InChI

InChI=1S/C29H33BrN2O3S/c1-2-3-4-10-19-34-26-18-17-23(21-24(26)30)28(33)32-29(36)31-25-15-8-9-16-27(25)35-20-11-14-22-12-6-5-7-13-22/h5-9,12-13,15-18,21H,2-4,10-11,14,19-20H2,1H3,(H2,31,32,33,36)