methyl 3-[[4-(2-thiophen-2-ylethyl)piperazin-1-yl]carbonylamino]benzoate

Systemtic Name: methyl 3-[[4-(2-thiophen-2-ylethyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: methyl 3-[[4-[2-(2-thienyl)ethyl]piperazine-1-carbonyl]amino]benzoate CAS Name: 3-[[oxo-[4-(2-thiophen-2-ylethyl)-1-piperazinyl]methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-(2-thiophen-2-ylethyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 3-[[4-[2-(2-thienyl)ethyl]piperazine-1-carbonyl]amino]benzoic acid methyl ester Formula: C19H23N3O3S MolecularWeight: 373.46922

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)CCC3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)N2CCN(CC2)CCC3=CC=CS3

InChI

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