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

Systemtic Name: N-[[(4-phenylmethoxyphenyl)carbonylamino]carbamothioyl]cyclohexanecarboxamide Openeye Name: N-[[(4-benzyloxybenzoyl)amino]carbamothioyl]cyclohexanecarboxamide CAS Name: N-[[[oxo-(4-phenylmethoxyphenyl)methyl]hydrazo]-sulfanylidenemethyl]cyclohexanecarboxamide IUPAC Name: N-[[(4-phenylmethoxybenzoyl)amino]carbamothioyl]cyclohexanecarboxamide Traditional Name: N-[[(4-benzoxybenzoyl)amino]thiocarbamoyl]cyclohexanecarboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)C(=O)NC(=S)NNC(=O)C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H25N3O3S/c26-20(17-9-5-2-6-10-17)23-22(29)25-24-21(27)18-11-13-19(14-12-18)28-15-16-7-3-1-4-8-16/h1,3-4,7-8,11-14,17H,2,5-6,9-10,15H2,(H,24,27)(H2,23,25,26,29)