2-[4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoyl]piperazin-1-yl]-N-butyl-ethanamide

Systemtic Name: 2-[4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanoyl]piperazin-1-yl]-N-butyl-ethanamide Openeye Name: 2-[4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]-N-butyl-acetamide CAS Name: 2-[4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]-1-oxoethyl]-1-piperazinyl]-N-butylacetamide IUPAC Name: 2-[4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]piperazin-1-yl]-N-butylacetamide Traditional Name: 2-[4-[2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetyl]piperazino]-N-butyl-acetamide Formula: C21H31N5O2S MolecularWeight: 417.56814

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CN1CCN(CC1)C(=O)CN(C)CC2=NC3=CC=CC=C3S2

Isomeric SMILES

CCCCNC(=O)CN1CCN(CC1)C(=O)CN(C)CC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C21H31N5O2S/c1-3-4-9-22-19(27)14-25-10-12-26(13-11-25)21(28)16-24(2)15-20-23-17-7-5-6-8-18(17)29-20/h5-8H,3-4,9-16H2,1-2H3,(H,22,27)