3-phenylpropyl 5-oxidanylidene-5-[[2-(2-propan-2-ylphenoxy)ethanoylamino]carbamothioylamino]pentanoate

Systemtic Name: 3-phenylpropyl 5-oxidanylidene-5-[[2-(2-propan-2-ylphenoxy)ethanoylamino]carbamothioylamino]pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(2-isopropylphenoxy)acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-oxo-5-[[[[1-oxo-2-(2-propan-2-ylphenoxy)ethyl]hydrazo]-sulfanylidenemethyl]amino]pentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-oxo-5-[[[2-(2-propan-2-ylphenoxy)acetyl]amino]carbamothioylamino]pentanoate Traditional Name: 5-[[[2-(2-isopropylphenoxy)acetyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33N3O5S/c1-19(2)21-13-6-7-14-22(21)34-18-24(31)28-29-26(35)27-23(30)15-8-16-25(32)33-17-9-12-20-10-4-3-5-11-20/h3-7,10-11,13-14,19H,8-9,12,15-18H2,1-2H3,(H,28,31)(H2,27,29,30,35)