1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone

Systemtic Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone Openeye Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(m-tolyl)ethanone CAS Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)-1-piperazinyl]-2-(3-methylphenyl)ethanone IUPAC Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone Traditional Name: 1-[4-(6-ethoxy-1,3-benzothiazol-2-yl)piperazino]-2-(m-tolyl)ethanone Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=CC=CC(=C4)C

Isomeric SMILES

CCOC1=CC2=C(C=C1)N=C(S2)N3CCN(CC3)C(=O)CC4=CC=CC(=C4)C

InChI

InChI=1S/C22H25N3O2S/c1-3-27-18-7-8-19-20(15-18)28-22(23-19)25-11-9-24(10-12-25)21(26)14-17-6-4-5-16(2)13-17/h4-8,13,15H,3,9-12,14H2,1-2H3