2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanone Openeye Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)piperazin-1-yl]ethanone CAS Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(2,3-dihydrobenzofuran-5-ylmethyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1,3-benzothiazol-2-ylsulfanyl)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethanone Traditional Name: 2-(1,3-benzothiazol-2-ylthio)-1-[4-(coumaran-5-ylmethyl)piperazino]ethanone Formula: C22H23N3O2S2 MolecularWeight: 425.56692

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CSC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1COC2=C1C=C(C=C2)CN3CCN(CC3)C(=O)CSC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C22H23N3O2S2/c26-21(15-28-22-23-18-3-1-2-4-20(18)29-22)25-10-8-24(9-11-25)14-16-5-6-19-17(13-16)7-12-27-19/h1-6,13H,7-12,14-15H2