4-heptoxy-N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide

Systemtic Name: 4-heptoxy-N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]benzamide Openeye Name: N-[[(4-benzyloxybenzoyl)amino]carbamothioyl]-4-heptoxy-benzamide CAS Name: 4-heptoxy-N-[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptoxy-N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]benzamide Traditional Name: N-[[(4-benzoxybenzoyl)amino]thiocarbamoyl]-4-heptoxy-benzamide Formula: C29H33N3O4S MolecularWeight: 519.65502

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C29H33N3O4S/c1-2-3-4-5-9-20-35-25-16-12-23(13-17-25)27(33)30-29(37)32-31-28(34)24-14-18-26(19-15-24)36-21-22-10-7-6-8-11-22/h6-8,10-19H,2-5,9,20-21H2,1H3,(H,31,34)(H2,30,32,33,37)