phenethyl 4-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: phenethyl 4-[[2-(3,5-dimethylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(3,5-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[[2-(3,5-dimethylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(3,5-dimethylphenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid phenethyl ester Formula: C23H27N3O5S MolecularWeight: 457.54258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27N3O5S/c1-16-12-17(2)14-19(13-16)31-15-21(28)25-26-23(32)24-20(27)8-9-22(29)30-11-10-18-6-4-3-5-7-18/h3-7,12-14H,8-11,15H2,1-2H3,(H,25,28)(H2,24,26,27,32)