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

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[[2-(p-tolylmethylsulfanyl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[[[2-[(4-methylphenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4-ethyl-5-methyl-2-[[[2-[(4-methylbenzyl)thio]acetyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C21H27N3O3S3 MolecularWeight: 465.65238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O3S3/c1-5-16-14(4)30-19(18(16)20(26)27-6-2)22-21(28)24-23-17(25)12-29-11-15-9-7-13(3)8-10-15/h7-10H,5-6,11-12H2,1-4H3,(H,23,25)(H2,22,24,28)