2-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]ethanone CAS Name: 2-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethanone Traditional Name: 2-(1,3-benzodioxol-5-yl)-1-[4-(1,3-benzothiazol-2-yl)piperidino]ethanone Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

C1CN(CCC1C2=NC3=CC=CC=C3S2)C(=O)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H20N2O3S/c24-20(12-14-5-6-17-18(11-14)26-13-25-17)23-9-7-15(8-10-23)21-22-16-3-1-2-4-19(16)27-21/h1-6,11,15H,7-10,12-13H2