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

Systemtic Name: butyl 2-[[4-(2-thiophen-2-ylethyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 2-[[4-[2-(2-thienyl)ethyl]piperazine-1-carbonyl]amino]benzoate CAS Name: 2-[[oxo-[4-(2-thiophen-2-ylethyl)-1-piperazinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 2-[[4-(2-thiophen-2-ylethyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 2-[[4-[2-(2-thienyl)ethyl]piperazine-1-carbonyl]amino]benzoic acid butyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)CCC3=CC=CS3

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1NC(=O)N2CCN(CC2)CCC3=CC=CS3

InChI

InChI=1S/C22H29N3O3S/c1-2-3-16-28-21(26)19-8-4-5-9-20(19)23-22(27)25-14-12-24(13-15-25)11-10-18-7-6-17-29-18/h4-9,17H,2-3,10-16H2,1H3,(H,23,27)