methyl 4-(4-methylphenyl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-methylphenyl)-2-[2-[4-(4-nitrophenyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[2-[4-(4-nitrophenyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-[[2-[4-(4-nitrophenyl)piperazin-1-yl]acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-[4-(4-nitrophenyl)piperazino]acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C25H26N4O5S MolecularWeight: 494.56274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C25H26N4O5S/c1-17-3-5-18(6-4-17)21-16-35-24(23(21)25(31)34-2)26-22(30)15-27-11-13-28(14-12-27)19-7-9-20(10-8-19)29(32)33/h3-10,16H,11-15H2,1-2H3,(H,26,30)