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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)propyl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C25H27N3O2S MolecularWeight: 433.56578

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCC2=NC3=CC=CC=C3S2)C(=O)C=CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NCCCC2=NC3=CC=CC=C3S2)C(=O)/C=C/C4=CC=CC=C4

InChI

InChI=1S/C25H27N3O2S/c29-24(13-12-19-7-2-1-3-8-19)28-17-14-20(15-18-28)25(30)26-16-6-11-23-27-21-9-4-5-10-22(21)31-23/h1-5,7-10,12-13,20H,6,11,14-18H2,(H,26,30)/b13-12+