N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]octanamide

Systemtic Name: N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[(4-benzyloxybenzoyl)amino]carbamothioyl]octanamide CAS Name: N-[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]octanamide Traditional Name: N-[[(4-benzoxybenzoyl)amino]thiocarbamoyl]caprylamide Formula: C23H29N3O3S MolecularWeight: 427.55966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C23H29N3O3S/c1-2-3-4-5-9-12-21(27)24-23(30)26-25-22(28)19-13-15-20(16-14-19)29-17-18-10-7-6-8-11-18/h6-8,10-11,13-16H,2-5,9,12,17H2,1H3,(H,25,28)(H2,24,26,27,30)