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

Systemtic Name: methyl 4-[[2-(2,3-dimethylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2,3-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2,3-dimethylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2,3-dimethylphenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid methyl ester Formula: C16H21N3O5S MolecularWeight: 367.42004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21N3O5S/c1-10-5-4-6-12(11(10)2)24-9-14(21)18-19-16(25)17-13(20)7-8-15(22)23-3/h4-6H,7-9H2,1-3H3,(H,18,21)(H2,17,19,20,25)