methyl 5-methyl-2-[2-(4-pentylpiperazin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-methyl-2-[2-(4-pentylpiperazin-1-yl)ethanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[2-(4-pentylpiperazin-1-yl)acetyl]amino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[1-oxo-2-(4-pentyl-1-piperazinyl)ethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[2-(4-pentylpiperazin-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[2-(4-amylpiperazino)acetyl]amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C24H33N3O3S MolecularWeight: 443.60212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1CCN(CC1)CC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCCCCN1CCN(CC1)CC(=O)NC2=C(C(=C(S2)C)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C24H33N3O3S/c1-4-5-9-12-26-13-15-27(16-14-26)17-20(28)25-23-22(24(29)30-3)21(18(2)31-23)19-10-7-6-8-11-19/h6-8,10-11H,4-5,9,12-17H2,1-3H3,(H,25,28)