ethyl 4-[[2-(4-phenylphenoxy)propanoylamino]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[2-(4-phenylphenoxy)propanoylamino]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[2-(4-phenylphenoxy)propanoylamino]carbamothioylamino]benzoate CAS Name: 4-[[[[1-oxo-2-(4-phenylphenoxy)propyl]hydrazo]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(4-phenylphenoxy)propanoylamino]carbamothioylamino]benzoate Traditional Name: 4-[[2-(4-phenylphenoxy)propanoylamino]thiocarbamoylamino]benzoic acid ethyl ester Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C(C)OC2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NNC(=O)C(C)OC2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H25N3O4S/c1-3-31-24(30)20-9-13-21(14-10-20)26-25(33)28-27-23(29)17(2)32-22-15-11-19(12-16-22)18-7-5-4-6-8-18/h4-17H,3H2,1-2H3,(H,27,29)(H2,26,28,33)