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

Systemtic Name: methyl 5-methyl-2-[[2-[(4-methylphenyl)methylsulfanyl]ethanoylamino]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[[2-(p-tolylmethylsulfanyl)acetyl]amino]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[[2-[(4-methylphenyl)methylthio]-1-oxoethyl]hydrazo]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[[2-[(4-methylphenyl)methylsulfanyl]acetyl]amino]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[[2-[(4-methylbenzyl)thio]acetyl]amino]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C18H21N3O3S3 MolecularWeight: 423.57264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)NNC(=S)NC2=C(C=C(S2)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)NNC(=S)NC2=C(C=C(S2)C)C(=O)OC

InChI

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