methyl 5-phenyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-phenyl-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperazino)acetyl]amino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-31-25(30)21-16-22(20-10-6-3-7-11-20)32-24(21)26-23(29)18-28-14-12-27(13-15-28)17-19-8-4-2-5-9-19/h2-11,16H,12-15,17-18H2,1H3,(H,26,29)