methyl 4-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanoylamino]benzoate Openeye Name: methyl 4-[[2-[4-(2-thienylmethyl)piperazin-1-yl]acetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[4-(thiophen-2-ylmethyl)-1-piperazinyl]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[4-(thiophen-2-ylmethyl)piperazin-1-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[4-(2-thenyl)piperazino]acetyl]amino]benzoic acid methyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CN2CCN(CC2)CC3=CC=CS3

InChI

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