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

Systemtic Name: methyl 4-(4-methylphenyl)-2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-[[1-oxo-2-[4-(phenylmethyl)-1-piperazinyl]ethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]-4-(4-methylphenyl)thiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperazino)acetyl]amino]-4-(p-tolyl)thiophene-3-carboxylic acid methyl ester Formula: C26H29N3O3S MolecularWeight: 463.59176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC(=C2C(=O)OC)NC(=O)CN3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3O3S/c1-19-8-10-21(11-9-19)22-18-33-25(24(22)26(31)32-2)27-23(30)17-29-14-12-28(13-15-29)16-20-6-4-3-5-7-20/h3-11,18H,12-17H2,1-2H3,(H,27,30)