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

Systemtic Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperidine-4-carboxamide Openeye Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperidine-4-carboxamide CAS Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]-4-piperidinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperidine-4-carboxamide Traditional Name: N-(1,3-benzodioxol-5-yl)-1-[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]isonipecotamide Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)C=CC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC3=C(C=C2)OCO3)C(=O)/C=C/C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H21N3O4S/c27-22(8-7-21-25-17-3-1-2-4-20(17)31-21)26-11-9-15(10-12-26)23(28)24-16-5-6-18-19(13-16)30-14-29-18/h1-8,13,15H,9-12,14H2,(H,24,28)/b8-7+