5-bromanyl-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[[4-(3-methylbutoxy)phenyl]carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[(4-isopentyloxybenzoyl)amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[[4-(3-methylbutoxy)phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[[4-(3-methylbutoxy)benzoyl]amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[[(4-isoamoxybenzoyl)amino]thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C28H30BrN3O4S MolecularWeight: 584.5245

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C28H30BrN3O4S/c1-19(2)14-16-35-23-11-8-21(9-12-23)26(33)31-32-28(37)30-27(34)24-18-22(29)10-13-25(24)36-17-15-20-6-4-3-5-7-20/h3-13,18-19H,14-17H2,1-2H3,(H,31,33)(H2,30,32,34,37)