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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)C)C

Isomeric SMILES

CCCOC(=O)CCC(=O)NC(=S)NNC(=O)COC1=C(C=C(C=C1)C)C

InChI

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