2-methoxyethyl 4-oxidanylidene-4-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: 2-methoxyethyl 4-oxidanylidene-4-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioylamino]butanoate Openeye Name: 2-methoxyethyl 4-oxo-4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-oxo-4-[[[[1-oxo-2-(4-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 4-oxo-4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-keto-4-[[[2-(4-phenylphenoxy)acetyl]amino]thiocarbamoylamino]butyric acid 2-methoxyethyl ester Formula: C22H25N3O6S MolecularWeight: 459.5154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O6S/c1-29-13-14-30-21(28)12-11-19(26)23-22(32)25-24-20(27)15-31-18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-10H,11-15H2,1H3,(H,24,27)(H2,23,25,26,32)