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

Systemtic Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone Openeye Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone CAS Name: 1-[4-(1,3-benzothiazol-2-yl)-1-piperidinyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone IUPAC Name: 1-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone Traditional Name: 1-[4-(1,3-benzothiazol-2-yl)piperidino]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone Formula: C23H24N2O3S2 MolecularWeight: 440.57826

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5S4)OC1

InChI

InChI=1S/C23H24N2O3S2/c26-22(15-29-17-6-7-19-20(14-17)28-13-3-12-27-19)25-10-8-16(9-11-25)23-24-18-4-1-2-5-21(18)30-23/h1-2,4-7,14,16H,3,8-13,15H2