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

Systemtic Name: ethyl 2-[[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: ethyl 5-benzyl-2-[[[2-(p-tolylmethylsulfanyl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[[2-[(4-methylphenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-benzyl-2-[[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[[2-[(4-methylbenzyl)thio]acetyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid ethyl ester Formula: C25H27N3O3S3 MolecularWeight: 513.69518

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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=C(C=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C25H27N3O3S3/c1-3-31-24(30)21-14-20(13-18-7-5-4-6-8-18)34-23(21)26-25(32)28-27-22(29)16-33-15-19-11-9-17(2)10-12-19/h4-12,14H,3,13,15-16H2,1-2H3,(H,27,29)(H2,26,28,32)