2,3-dihydro-1,4-benzodioxin-3-yl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone

Systemtic Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Openeye Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone CAS Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(6-ethyl-1,3-benzothiazol-2-yl)-1-piperazinyl]methanone IUPAC Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazin-1-yl]methanone Traditional Name: 2,3-dihydro-1,4-benzodioxin-3-yl-[4-(6-ethyl-1,3-benzothiazol-2-yl)piperazino]methanone Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

Isomeric SMILES

CCC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)C4COC5=CC=CC=C5O4

InChI

InChI=1S/C22H23N3O3S/c1-2-15-7-8-16-20(13-15)29-22(23-16)25-11-9-24(10-12-25)21(26)19-14-27-17-5-3-4-6-18(17)28-19/h3-8,13,19H,2,9-12,14H2,1H3