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

Systemtic Name: ethyl 5-(phenylmethyl)-2-[[2-(phenylmethylsulfanyl)ethanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[(2-benzylsulfanylacetyl)amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[1-oxo-2-(phenylmethylthio)ethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[(2-benzylsulfanylacetyl)amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[[2-(benzylthio)acetyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C24H25N3O3S3 MolecularWeight: 499.6686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)CSCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)CC2=CC=CC=C2)NC(=S)NNC(=O)CSCC3=CC=CC=C3

InChI

InChI=1S/C24H25N3O3S3/c1-2-30-23(29)20-14-19(13-17-9-5-3-6-10-17)33-22(20)25-24(31)27-26-21(28)16-32-15-18-11-7-4-8-12-18/h3-12,14H,2,13,15-16H2,1H3,(H,26,28)(H2,25,27,31)