N-(1,3-benzothiazol-2-yl)-2-ethanoyl-3-[4-(phenylmethyl)piperidin-1-yl]but-2-enehydrazide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-2-ethanoyl-3-[4-(phenylmethyl)piperidin-1-yl]but-2-enehydrazide Openeye Name: 2-acetyl-N-(1,3-benzothiazol-2-yl)-3-(4-benzyl-1-piperidyl)but-2-enehydrazide CAS Name: 2-acetyl-N-(1,3-benzothiazol-2-yl)-3-[4-(phenylmethyl)-1-piperidinyl]-2-butenehydrazide IUPAC Name: 2-acetyl-N-(1,3-benzothiazol-2-yl)-3-(4-benzylpiperidin-1-yl)but-2-enehydrazide Traditional Name: 2-acetyl-N-(1,3-benzothiazol-2-yl)-3-(4-benzylpiperidino)but-2-enohydrazide Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)C)C(=O)N(C1=NC2=CC=CC=C2S1)N)N3CCC(CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=C(C(=O)C)C(=O)N(C1=NC2=CC=CC=C2S1)N)N3CCC(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O2S/c1-17(28-14-12-20(13-15-28)16-19-8-4-3-5-9-19)23(18(2)30)24(31)29(26)25-27-21-10-6-7-11-22(21)32-25/h3-11,20H,12-16,26H2,1-2H3