1-[3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]methyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[4-(1,3-benzothiazol-2-ylmethyl)piperazino]methyl]-4-ethoxy-phenyl]ethanone Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CN2CCN(CC2)CC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CN2CCN(CC2)CC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C23H27N3O2S/c1-3-28-21-9-8-18(17(2)27)14-19(21)15-25-10-12-26(13-11-25)16-23-24-20-6-4-5-7-22(20)29-23/h4-9,14H,3,10-13,15-16H2,1-2H3