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

Systemtic Name: phenethyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 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 phenethyl ester IUPAC Name: phenethyl 4-[[2-(3,4-dimethylphenoxy)propanoylamino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[2-(3,4-dimethylphenoxy)propanoylamino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C24H29N3O5S MolecularWeight: 471.56916

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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)OCCC2=CC=CC=C2)C

Isomeric SMILES

CC1=C(C=C(C=C1)OC(C)C(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2)C

InChI

InChI=1S/C24H29N3O5S/c1-16-9-10-20(15-17(16)2)32-18(3)23(30)26-27-24(33)25-21(28)11-12-22(29)31-14-13-19-7-5-4-6-8-19/h4-10,15,18H,11-14H2,1-3H3,(H,26,30)(H2,25,27,28,33)