3-phenylpropyl 5-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate

Systemtic Name: 3-phenylpropyl 5-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioylamino]-5-oxidanylidene-pentanoate Openeye Name: 3-phenylpropyl 5-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioylamino]-5-oxo-pentanoate CAS Name: 5-[[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-oxopentanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 5-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioylamino]-5-oxopentanoate Traditional Name: 5-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoylamino]-5-keto-valeric acid 3-phenylpropyl ester Formula: C27H28BrN3O5S MolecularWeight: 586.49732

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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=CC=CC=C3C=C2)Br

Isomeric SMILES

C1=CC=C(C=C1)CCCOC(=O)CCCC(=O)NC(=S)NNC(=O)COC2=C(C3=CC=CC=C3C=C2)Br

InChI

InChI=1S/C27H28BrN3O5S/c28-26-21-12-5-4-11-20(21)15-16-22(26)36-18-24(33)30-31-27(37)29-23(32)13-6-14-25(34)35-17-7-10-19-8-2-1-3-9-19/h1-5,8-9,11-12,15-16H,6-7,10,13-14,17-18H2,(H,30,33)(H2,29,31,32,37)