ethyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: ethyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: ethyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(3,4-dimethylphenoxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoylamino]-4-keto-butyric acid ethyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NNC(=O)C(C)OC1=CC(=C(C=C1)C)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NNC(=O)C(C)OC1=CC(=C(C=C1)C)C

InChI

InChI=1S/C18H25N3O5S/c1-5-25-16(23)9-8-15(22)19-18(27)21-20-17(24)13(4)26-14-7-6-11(2)12(3)10-14/h6-7,10,13H,5,8-9H2,1-4H3,(H,20,24)(H2,19,21,22,27)