3-phenylpropyl 5-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-[1,6-bis(bromanyl)naphthalen-2-yl]oxyethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-[(1,6-dibromo-2-naphthyl)oxy]acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-[(1,6-dibromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(1,6-dibromonaphthalen-2-yl)oxyacetyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[2-(1,6-dibromo-2-naphthoxy)acetyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C27H27Br2N3O5S MolecularWeight: 665.39338

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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(C3=C(C=C2)C=C(C=C3)Br)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)COC2=C(C3=C(C=C2)C=C(C=C3)Br)Br

InChI

InChI=1S/C27H27Br2N3O5S/c28-20-12-13-21-19(16-20)11-14-22(26(21)29)37-17-24(34)31-32-27(38)30-23(33)9-4-10-25(35)36-15-5-8-18-6-2-1-3-7-18/h1-3,6-7,11-14,16H,4-5,8-10,15,17H2,(H,31,34)(H2,30,32,33,38)