methyl 4-[[2-(4-methylphenyl)sulfanylethanoylamino]carbamothioylamino]butanoate

Systemtic Name: methyl 4-[[2-(4-methylphenyl)sulfanylethanoylamino]carbamothioylamino]butanoate Openeye Name: methyl 4-[[[2-(p-tolylsulfanyl)acetyl]amino]carbamothioylamino]butanoate CAS Name: 4-[[[[2-[(4-methylphenyl)thio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[[2-(4-methylphenyl)sulfanylacetyl]amino]carbamothioylamino]butanoate Traditional Name: 4-[[[2-(p-tolylthio)acetyl]amino]thiocarbamoylamino]butyric acid methyl ester Formula: C15H21N3O3S2 MolecularWeight: 355.47554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)NNC(=S)NCCCC(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)NNC(=S)NCCCC(=O)OC

InChI

InChI=1S/C15H21N3O3S2/c1-11-5-7-12(8-6-11)23-10-13(19)17-18-15(22)16-9-3-4-14(20)21-2/h5-8H,3-4,9-10H2,1-2H3,(H,17,19)(H2,16,18,22)