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

Systemtic Name: N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]hexanamide Openeye Name: N-[[(4-benzyloxybenzoyl)amino]carbamothioyl]hexanamide CAS Name: N-[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]hexanamide Traditional Name: N-[[(4-benzoxybenzoyl)amino]thiocarbamoyl]hexanamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O3S/c1-2-3-5-10-19(25)22-21(28)24-23-20(26)17-11-13-18(14-12-17)27-15-16-8-6-4-7-9-16/h4,6-9,11-14H,2-3,5,10,15H2,1H3,(H,23,26)(H2,22,24,25,28)