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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)CSCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NNC(=O)CSCC3=CC=C(C=C3)C

InChI

InChI=1S/C25H27N3O3S3/c1-4-31-24(30)22-21(19-8-6-5-7-9-19)17(3)34-23(22)26-25(32)28-27-20(29)15-33-14-18-12-10-16(2)11-13-18/h5-13H,4,14-15H2,1-3H3,(H,27,29)(H2,26,28,32)