propyl 4-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(2,6-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2,6-dimethylphenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid propyl ester Formula: C18H25N3O5S MolecularWeight: 395.4732

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=CC=C1C)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=CC=C1C)C

InChI

InChI=1S/C18H25N3O5S/c1-4-10-25-16(24)9-8-14(22)19-18(27)21-20-15(23)11-26-17-12(2)6-5-7-13(17)3/h5-7H,4,8-11H2,1-3H3,(H,20,23)(H2,19,21,22,27)