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

Systemtic Name: methyl 2-[2-[4-(phenylmethyl)piperazin-1-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 2-[[2-(4-benzylpiperazin-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 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]thiophene-3-carboxylate Traditional Name: 2-[[2-(4-benzylpiperazino)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(SC=C1)NC(=O)CN2CCN(CC2)CC3=CC=CC=C3

InChI

InChI=1S/C19H23N3O3S/c1-25-19(24)16-7-12-26-18(16)20-17(23)14-22-10-8-21(9-11-22)13-15-5-3-2-4-6-15/h2-7,12H,8-11,13-14H2,1H3,(H,20,23)