1-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]ethanoyl]-N-phenyl-piperidine-4-carboxamide

Systemtic Name: 1-[2-[(5-bromanylthiophen-2-yl)methyl-ethyl-amino]ethanoyl]-N-phenyl-piperidine-4-carboxamide Openeye Name: 1-[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]acetyl]-N-phenyl-piperidine-4-carboxamide CAS Name: 1-[2-[(5-bromo-2-thiophenyl)methyl-ethylamino]-1-oxoethyl]-N-phenyl-4-piperidinecarboxamide IUPAC Name: 1-[2-[(5-bromothiophen-2-yl)methyl-ethylamino]acetyl]-N-phenylpiperidine-4-carboxamide Traditional Name: 1-[2-[(5-bromo-2-thienyl)methyl-ethyl-amino]acetyl]-N-phenyl-isonipecotamide Formula: C21H26BrN3O2S MolecularWeight: 464.41904

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=C(S1)Br)CC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCN(CC1=CC=C(S1)Br)CC(=O)N2CCC(CC2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H26BrN3O2S/c1-2-24(14-18-8-9-19(22)28-18)15-20(26)25-12-10-16(11-13-25)21(27)23-17-6-4-3-5-7-17/h3-9,16H,2,10-15H2,1H3,(H,23,27)