3-phenylpropyl 5-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(2,6-dimethylphenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(2,6-dimethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(2,6-dimethylphenoxy)acetyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[2-(2,6-dimethylphenoxy)acetyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H31N3O5S MolecularWeight: 485.59574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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