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

Systemtic Name: methyl 4-ethyl-5-methyl-2-[[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C20H25N3O3S3 MolecularWeight: 451.6258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S3/c1-5-15-13(3)29-18(17(15)19(25)26-4)21-20(27)23-22-16(24)11-28-10-14-8-6-12(2)7-9-14/h6-9H,5,10-11H2,1-4H3,(H,22,24)(H2,21,23,27)