5-bromanyl-2-ethoxy-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide

Systemtic Name: 5-bromanyl-2-ethoxy-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Openeye Name: 5-bromo-2-ethoxy-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide CAS Name: 5-bromo-2-ethoxy-N-[[3-(3-phenylpropoxy)anilino]-sulfanylidenemethyl]benzamide IUPAC Name: 5-bromo-2-ethoxy-N-[[3-(3-phenylpropoxy)phenyl]carbamothioyl]benzamide Traditional Name: 5-bromo-2-ethoxy-N-[[3-(3-phenylpropoxy)phenyl]thiocarbamoyl]benzamide Formula: C25H25BrN2O3S MolecularWeight: 513.4466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC(=CC=C2)OCCCC3=CC=CC=C3

InChI

InChI=1S/C25H25BrN2O3S/c1-2-30-23-14-13-19(26)16-22(23)24(29)28-25(32)27-20-11-6-12-21(17-20)31-15-7-10-18-8-4-3-5-9-18/h3-6,8-9,11-14,16-17H,2,7,10,15H2,1H3,(H2,27,28,29,32)