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

Systemtic Name: methyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C17H23N3O5S MolecularWeight: 381.44662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)CCC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)CCC(=O)OC)C

InChI

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