ethyl 4-[3-oxidanylidene-3-[[phenyl(thiophen-2-yl)methyl]amino]propyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[3-oxidanylidene-3-[[phenyl(thiophen-2-yl)methyl]amino]propyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[3-oxo-3-[[phenyl(2-thienyl)methyl]amino]propyl]piperazine-1-carboxylate CAS Name: 4-[3-oxo-3-[[phenyl(thiophen-2-yl)methyl]amino]propyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[3-oxo-3-[[phenyl(thiophen-2-yl)methyl]amino]propyl]piperazine-1-carboxylate Traditional Name: 4-[3-keto-3-[[phenyl(2-thienyl)methyl]amino]propyl]piperazine-1-carboxylic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CCC(=O)NC(C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CCC(=O)NC(C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C21H27N3O3S/c1-2-27-21(26)24-14-12-23(13-15-24)11-10-19(25)22-20(18-9-6-16-28-18)17-7-4-3-5-8-17/h3-9,16,20H,2,10-15H2,1H3,(H,22,25)