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

Systemtic Name: methyl 5-ethyl-2-[[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[[2-(p-tolylmethylsulfanyl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[2-[(4-methylphenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[[2-[(4-methylbenzyl)thio]acetyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C19H23N3O3S3 MolecularWeight: 437.59922

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NNC(=O)CSCC2=CC=C(C=C2)C)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NNC(=O)CSCC2=CC=C(C=C2)C)C(=O)OC

InChI

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