ethyl 4-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-(4-ethylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(4-ethylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(4-ethylphenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCC

Isomeric SMILES

CCC1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCC

InChI

InChI=1S/C17H23N3O5S/c1-3-12-5-7-13(8-6-12)25-11-15(22)19-20-17(26)18-14(21)9-10-16(23)24-4-2/h5-8H,3-4,9-11H2,1-2H3,(H,19,22)(H2,18,20,21,26)