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

Systemtic Name: methyl 5-ethyl-2-[[2-(phenylmethylsulfanyl)ethanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(2-benzylsulfanylacetyl)amino]carbamothioylamino]-5-ethyl-thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[[1-oxo-2-(phenylmethylthio)ethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(2-benzylsulfanylacetyl)amino]carbamothioylamino]-5-ethylthiophene-3-carboxylate Traditional Name: 2-[[[2-(benzylthio)acetyl]amino]thiocarbamoylamino]-5-ethyl-thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O3S3 MolecularWeight: 423.57264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O3S3/c1-3-13-9-14(17(23)24-2)16(27-13)19-18(25)21-20-15(22)11-26-10-12-7-5-4-6-8-12/h4-9H,3,10-11H2,1-2H3,(H,20,22)(H2,19,21,25)