ethyl 4-[[2-(3-methylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=CC=CC(=C1)C

Isomeric SMILES

CCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=CC=CC(=C1)C

InChI

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