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

Systemtic Name: phenethyl 4-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: phenethyl 4-oxo-4-[[[2-(2-sec-butylphenoxy)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-(2-butan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid phenethyl ester IUPAC Name: phenethyl 4-[[[2-(2-butan-2-ylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-keto-4-[[[2-(2-sec-butylphenoxy)acetyl]amino]thiocarbamoylamino]butyric acid phenethyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O5S/c1-3-18(2)20-11-7-8-12-21(20)33-17-23(30)27-28-25(34)26-22(29)13-14-24(31)32-16-15-19-9-5-4-6-10-19/h4-12,18H,3,13-17H2,1-2H3,(H,27,30)(H2,26,28,29,34)