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

Systemtic Name: methyl 2-[2-[4-(diphenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 2-[[2-[4-(diphenylmethyl)-1-piperazinyl]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(4-benzhydrylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzhydrylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C25H27N3O3S MolecularWeight: 449.56518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O3S/c1-31-25(30)21-12-17-32-24(21)26-22(29)18-27-13-15-28(16-14-27)23(19-8-4-2-5-9-19)20-10-6-3-7-11-20/h2-12,17,23H,13-16,18H2,1H3,(H,26,29)