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

Systemtic Name: ethyl 4-[[4-(2-thiophen-2-ylethyl)piperazin-1-yl]carbonylamino]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H25N3O3S/c1-2-26-19(24)16-5-7-17(8-6-16)21-20(25)23-13-11-22(12-14-23)10-9-18-4-3-15-27-18/h3-8,15H,2,9-14H2,1H3,(H,21,25)