1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-methyl-but-2-en-1-one

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-methyl-but-2-en-1-one Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-methyl-but-2-en-1-one CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)-1-piperazinyl]-3-methyl-2-buten-1-one IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazin-1-yl]-3-methylbut-2-en-1-one Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethyl)piperazino]-3-methyl-but-2-en-1-one Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC(=CC(=O)N1CCN(CC1)CC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C17H21N3OS/c1-13(2)11-17(21)20-9-7-19(8-10-20)12-16-18-14-5-3-4-6-15(14)22-16/h3-6,11H,7-10,12H2,1-2H3