3-phenylpropyl 5-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(2-bromanyl-4-ethyl-phenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(2-bromo-4-ethylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(2-bromo-4-ethylphenoxy)acetyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[2-(2-bromo-4-ethyl-phenoxy)acetyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C25H30BrN3O5S MolecularWeight: 564.4918

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)Br

Isomeric SMILES

CCC1=CC(=C(C=C1)OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)Br

InChI

InChI=1S/C25H30BrN3O5S/c1-2-18-13-14-21(20(26)16-18)34-17-23(31)28-29-25(35)27-22(30)11-6-12-24(32)33-15-7-10-19-8-4-3-5-9-19/h3-5,8-9,13-14,16H,2,6-7,10-12,15,17H2,1H3,(H,28,31)(H2,27,29,30,35)