3-phenylpropyl 4-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[2-(1-bromanylnaphthalen-2-yl)oxyethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[[2-[(1-bromo-2-naphthyl)oxy]acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-[(1-bromo-2-naphthalenyl)oxy]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(1-bromo-2-naphthoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C26H26BrN3O5S MolecularWeight: 572.47074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26BrN3O5S/c27-25-20-11-5-4-10-19(20)12-13-21(25)35-17-23(32)29-30-26(36)28-22(31)14-15-24(33)34-16-6-9-18-7-2-1-3-8-18/h1-5,7-8,10-13H,6,9,14-17H2,(H,29,32)(H2,28,30,31,36)