1-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-yl]-2-methyl-propan-1-one

Systemtic Name: 1-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-yl]-2-methyl-propan-1-one Openeye Name: 1-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-yl]-2-methyl-propan-1-one CAS Name: 1-[4-[(E)-3-(1,3-benzothiazol-2-yl)-1-oxoprop-2-enyl]-1-piperazinyl]-2-methyl-1-propanone IUPAC Name: 1-[4-[(E)-3-(1,3-benzothiazol-2-yl)prop-2-enoyl]piperazin-1-yl]-2-methylpropan-1-one Traditional Name: 1-[4-[(E)-3-(1,3-benzothiazol-2-yl)acryloyl]piperazino]-2-methyl-propan-1-one Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C(=O)N1CCN(CC1)C(=O)/C=C/C2=NC3=CC=CC=C3S2

InChI

InChI=1S/C18H21N3O2S/c1-13(2)18(23)21-11-9-20(10-12-21)17(22)8-7-16-19-14-5-3-4-6-15(14)24-16/h3-8,13H,9-12H2,1-2H3/b8-7+