methyl 4-ethyl-5-methyl-2-[[2-(phenylmethylsulfanyl)ethanoylamino]carbamothioylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[2-(phenylmethylsulfanyl)ethanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(2-benzylsulfanylacetyl)amino]carbamothioylamino]-4-ethyl-5-methyl-thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[[1-oxo-2-(phenylmethylthio)ethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-benzylsulfanylacetyl)amino]carbamothioylamino]-4-ethyl-5-methylthiophene-3-carboxylate Traditional Name: 2-[[[2-(benzylthio)acetyl]amino]thiocarbamoylamino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C19H23N3O3S3 MolecularWeight: 437.59922

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)CSCC2=CC=CC=C2)C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OC)NC(=S)NNC(=O)CSCC2=CC=CC=C2)C

InChI

InChI=1S/C19H23N3O3S3/c1-4-14-12(2)28-17(16(14)18(24)25-3)20-19(26)22-21-15(23)11-27-10-13-8-6-5-7-9-13/h5-9H,4,10-11H2,1-3H3,(H,21,23)(H2,20,22,26)