3-phenylpropyl 4-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[2-(5-methyl-2-propan-2-yl-phenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(5-methyl-2-propan-2-ylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(2-isopropyl-5-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C26H33N3O5S MolecularWeight: 499.62232

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCC(=O)NNC(=S)NC(=O)CCC(=O)OCCCC2=CC=CC=C2

InChI

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