3-bromanyl-4-hexoxy-N-[[(2-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 3-bromanyl-4-hexoxy-N-[[(2-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(2-benzyloxybenzoyl)amino]carbamothioyl]-3-bromo-4-hexoxy-benzamide CAS Name: 3-bromo-4-hexoxy-N-[[[oxo-(2-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 3-bromo-4-hexoxy-N-[[(2-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(2-benzoxybenzoyl)amino]thiocarbamoyl]-3-bromo-4-hexoxy-benzamide Formula: C28H30BrN3O4S MolecularWeight: 584.5245

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3)Br

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=CC=C2OCC3=CC=CC=C3)Br

InChI

InChI=1S/C28H30BrN3O4S/c1-2-3-4-10-17-35-25-16-15-21(18-23(25)29)26(33)30-28(37)32-31-27(34)22-13-8-9-14-24(22)36-19-20-11-6-5-7-12-20/h5-9,11-16,18H,2-4,10,17,19H2,1H3,(H,31,34)(H2,30,32,33,37)