N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[2-(dimethylamino)-2-thiophen-2-yl-ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[2-(dimethylamino)-2-(2-thienyl)ethyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C23H29N3O2S MolecularWeight: 411.56026

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(CNC(=O)C1CCN(CC1)C(=O)C=CC2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CN(C)C(CNC(=O)C1CCN(CC1)C(=O)/C=C/C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C23H29N3O2S/c1-25(2)20(21-9-6-16-29-21)17-24-23(28)19-12-14-26(15-13-19)22(27)11-10-18-7-4-3-5-8-18/h3-11,16,19-20H,12-15,17H2,1-2H3,(H,24,28)/b11-10+