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

Systemtic Name: 3-phenylpropyl 5-[[2-(4-bromanyl-2-chloranyl-phenoxy)ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(4-bromo-2-chlorophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C23H25BrClN3O5S MolecularWeight: 570.8837

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25BrClN3O5S/c24-17-11-12-19(18(25)14-17)33-15-21(30)27-28-23(34)26-20(29)9-4-10-22(31)32-13-5-8-16-6-2-1-3-7-16/h1-3,6-7,11-12,14H,4-5,8-10,13,15H2,(H,27,30)(H2,26,28,29,34)