N-(1,3-benzothiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzothiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzothiazol-2-yl)-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzothiazol-2-yl)-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C22H21N3O2S/c26-20(11-10-16-6-2-1-3-7-16)25-14-12-17(13-15-25)21(27)24-22-23-18-8-4-5-9-19(18)28-22/h1-11,17H,12-15H2,(H,23,24,27)/b11-10+