methyl 4-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-phenylphenoxy)ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[1-oxo-2-(4-phenylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-phenylphenoxy)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(4-phenylphenoxy)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C20H23N3O4S MolecularWeight: 401.47932

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)COC1=CC=C(C=C1)C2=CC=CC=C2

InChI

InChI=1S/C20H23N3O4S/c1-26-19(25)8-5-13-21-20(28)23-22-18(24)14-27-17-11-9-16(10-12-17)15-6-3-2-4-7-15/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,22,24)(H2,21,23,28)