[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone

Systemtic Name: [2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Openeye Name: [2-(1,3-benzothiazol-2-yl)-1-piperidyl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone CAS Name: [2-(1,3-benzothiazol-2-yl)-1-piperidinyl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone IUPAC Name: [2-(1,3-benzothiazol-2-yl)piperidin-1-yl]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Traditional Name: [2-(1,3-benzothiazol-2-yl)piperidino]-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanone Formula: C22H22N2O3S MolecularWeight: 394.48668

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)OCCCO5

Isomeric SMILES

C1CCN(C(C1)C2=NC3=CC=CC=C3S2)C(=O)C4=CC5=C(C=C4)OCCCO5

InChI

InChI=1S/C22H22N2O3S/c25-22(15-9-10-18-19(14-15)27-13-5-12-26-18)24-11-4-3-7-17(24)21-23-16-6-1-2-8-20(16)28-21/h1-2,6,8-10,14,17H,3-5,7,11-13H2