3-phenylpropyl 5-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C23H26BrN3O5S MolecularWeight: 536.43864

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C23H26BrN3O5S/c24-18-11-13-19(14-12-18)32-16-21(29)26-27-23(33)25-20(28)9-4-10-22(30)31-15-5-8-17-6-2-1-3-7-17/h1-3,6-7,11-14H,4-5,8-10,15-16H2,(H,26,29)(H2,25,27,28,33)