methyl 4-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-phenyl-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-phenyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-phenyl-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-phenyl-2-[[2-(4-phenylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C24H25N3O3S MolecularWeight: 435.5386

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C24H25N3O3S/c1-30-24(29)22-20(18-8-4-2-5-9-18)17-31-23(22)25-21(28)16-26-12-14-27(15-13-26)19-10-6-3-7-11-19/h2-11,17H,12-16H2,1H3,(H,25,28)