methyl 4-[[2-[2-(phenylmethyl)phenoxy]ethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-[2-(phenylmethyl)phenoxy]ethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(2-benzylphenoxy)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[1-oxo-2-[2-(phenylmethyl)phenoxy]ethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(2-benzylphenoxy)acetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(2-benzylphenoxy)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C21H25N3O4S MolecularWeight: 415.5059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC(=S)NNC(=O)COC1=CC=CC=C1CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCCNC(=S)NNC(=O)COC1=CC=CC=C1CC2=CC=CC=C2

InChI

InChI=1S/C21H25N3O4S/c1-27-20(26)12-7-13-22-21(29)24-23-19(25)15-28-18-11-6-5-10-17(18)14-16-8-3-2-4-9-16/h2-6,8-11H,7,12-15H2,1H3,(H,23,25)(H2,22,24,29)