2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-ethanamide

Systemtic Name: 2-[4-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]piperazin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-ethanamide Openeye Name: 2-[4-[2-(azepan-1-yl)-2-oxo-ethyl]piperazin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-acetamide CAS Name: 2-[4-[2-(1-azepanyl)-2-oxoethyl]-1-piperazinyl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide IUPAC Name: 2-[4-[2-(azepan-1-yl)-2-oxoethyl]piperazin-1-yl]-N-(1,3-benzothiazol-2-ylmethyl)-N-methylacetamide Traditional Name: 2-[4-[2-(azepan-1-yl)-2-keto-ethyl]piperazino]-N-(1,3-benzothiazol-2-ylmethyl)-N-methyl-acetamide Formula: C23H33N5O2S MolecularWeight: 443.60542

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)C(=O)CN3CCN(CC3)CC(=O)N4CCCCCC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)C(=O)CN3CCN(CC3)CC(=O)N4CCCCCC4

InChI

InChI=1S/C23H33N5O2S/c1-25(16-21-24-19-8-4-5-9-20(19)31-21)22(29)17-26-12-14-27(15-13-26)18-23(30)28-10-6-2-3-7-11-28/h4-5,8-9H,2-3,6-7,10-18H2,1H3