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

Systemtic Name: butyl 4-[[4-(2-thiophen-2-ylethyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: butyl 4-[[4-[2-(2-thienyl)ethyl]piperazine-1-carbonyl]amino]benzoate CAS Name: 4-[[oxo-[4-(2-thiophen-2-ylethyl)-1-piperazinyl]methyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-[[4-(2-thiophen-2-ylethyl)piperazine-1-carbonyl]amino]benzoate Traditional Name: 4-[[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=C(C=C1)NC(=O)N2CCN(CC2)CCC3=CC=CS3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)N2CCN(CC2)CCC3=CC=CS3

InChI

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