3-phenylpropyl 5-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-[2,4-bis(bromanyl)-6-methyl-phenoxy]ethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-(2,4-dibromo-6-methylphenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(2,4-dibromo-6-methylphenoxy)acetyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[2-(2,4-dibromo-6-methyl-phenoxy)acetyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C24H27Br2N3O5S MolecularWeight: 629.36128

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)Br)Br

Isomeric SMILES

CC1=CC(=CC(=C1OCC(=O)NNC(=S)NC(=O)CCCC(=O)OCCCC2=CC=CC=C2)Br)Br

InChI

InChI=1S/C24H27Br2N3O5S/c1-16-13-18(25)14-19(26)23(16)34-15-21(31)28-29-24(35)27-20(30)10-5-11-22(32)33-12-6-9-17-7-3-2-4-8-17/h2-4,7-8,13-14H,5-6,9-12,15H2,1H3,(H,28,31)(H2,27,29,30,35)