3-phenylpropyl 4-oxidanylidene-4-[[2-(4-propan-2-ylphenoxy)ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: 3-phenylpropyl 4-oxidanylidene-4-[[2-(4-propan-2-ylphenoxy)ethanoylamino]carbamothioylamino]butanoate Openeye Name: 3-phenylpropyl 4-[[[2-(4-isopropylphenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-oxo-4-[[[[1-oxo-2-(4-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-oxo-4-[[[2-(4-propan-2-ylphenoxy)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(4-isopropylphenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C25H31N3O5S/c1-18(2)20-10-12-21(13-11-20)33-17-23(30)27-28-25(34)26-22(29)14-15-24(31)32-16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-13,18H,6,9,14-17H2,1-2H3,(H,27,30)(H2,26,28,29,34)