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

Systemtic Name: methyl 4-(4-fluorophenyl)-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[[2-(4-phenylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C24H24FN3O3S MolecularWeight: 453.529063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24FN3O3S/c1-31-24(30)22-20(17-7-9-18(25)10-8-17)16-32-23(22)26-21(29)15-27-11-13-28(14-12-27)19-5-3-2-4-6-19/h2-10,16H,11-15H2,1H3,(H,26,29)