propyl 4-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: propyl 4-[[2-(4-butan-2-ylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: propyl 4-oxo-4-[[[2-(4-sec-butylphenoxy)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(4-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid propyl ester IUPAC Name: propyl 4-[[[2-(4-butan-2-ylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(4-sec-butylphenoxy)acetyl]amino]thiocarbamoylamino]butyric acid propyl ester Formula: C20H29N3O5S MolecularWeight: 423.52636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29N3O5S/c1-4-12-27-19(26)11-10-17(24)21-20(29)23-22-18(25)13-28-16-8-6-15(7-9-16)14(3)5-2/h6-9,14H,4-5,10-13H2,1-3H3,(H,22,25)(H2,21,23,24,29)