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

Systemtic Name: methyl 4-(4-methoxyphenyl)-2-[2-(4-phenylpiperazin-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-methoxyphenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-methoxyphenyl)-2-[[1-oxo-2-(4-phenyl-1-piperazinyl)ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methoxyphenyl)-2-[[2-(4-phenylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-methoxyphenyl)-2-[[2-(4-phenylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4S/c1-31-20-10-8-18(9-11-20)21-17-33-24(23(21)25(30)32-2)26-22(29)16-27-12-14-28(15-13-27)19-6-4-3-5-7-19/h3-11,17H,12-16H2,1-2H3,(H,26,29)