3-phenylpropyl 4-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate

Systemtic Name: 3-phenylpropyl 4-[[2-(4-bromanylphenoxy)ethanoylamino]carbamothioylamino]-4-oxidanylidene-butanoate Openeye Name: 3-phenylpropyl 4-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioylamino]-4-oxo-butanoate CAS Name: 4-[[[[2-(4-bromophenoxy)-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-4-oxobutanoic acid 3-phenylpropyl ester IUPAC Name: 3-phenylpropyl 4-[[[2-(4-bromophenoxy)acetyl]amino]carbamothioylamino]-4-oxobutanoate Traditional Name: 4-[[[2-(4-bromophenoxy)acetyl]amino]thiocarbamoylamino]-4-keto-butyric acid 3-phenylpropyl ester Formula: C22H24BrN3O5S MolecularWeight: 522.41206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24BrN3O5S/c23-17-8-10-18(11-9-17)31-15-20(28)25-26-22(32)24-19(27)12-13-21(29)30-14-4-7-16-5-2-1-3-6-16/h1-3,5-6,8-11H,4,7,12-15H2,(H,25,28)(H2,24,26,27,32)