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

Systemtic Name: 3-phenylpropyl 4-[[2-(2-butan-2-ylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 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 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 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 3-phenylpropyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CCC(C)C1=CC=CC=C1OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

InChI=1S/C26H33N3O5S/c1-3-19(2)21-13-7-8-14-22(21)34-18-24(31)28-29-26(35)27-23(30)15-16-25(32)33-17-9-12-20-10-5-4-6-11-20/h4-8,10-11,13-14,19H,3,9,12,15-18H2,1-2H3,(H,28,31)(H2,27,29,30,35)