N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]hexanamide

Systemtic Name: N-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioyl]hexanamide Openeye Name: N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]hexanamide CAS Name: N-[[[1-oxo-2-(4-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioyl]hexanamide Traditional Name: N-[[[2-(4-phenylphenoxy)acetyl]amino]thiocarbamoyl]hexanamide Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

CCCCCC(=O)NC(=S)NNC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C21H25N3O3S/c1-2-3-5-10-19(25)22-21(28)24-23-20(26)15-27-18-13-11-17(12-14-18)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)