N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-1-[(E)-1-oxo-3-phenylprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-1-[(E)-3-phenylprop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-1-[(E)-3-phenylacryloyl]isonipecotamide Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)C(=O)C=CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC(=CS2)C3=CC4=C(C=C3)OCO4)C(=O)/C=C/C5=CC=CC=C5

InChI

InChI=1S/C25H23N3O4S/c29-23(9-6-17-4-2-1-3-5-17)28-12-10-18(11-13-28)24(30)27-25-26-20(15-33-25)19-7-8-21-22(14-19)32-16-31-21/h1-9,14-15,18H,10-13,16H2,(H,26,27,30)/b9-6+