(4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(2-pyridyl)piperazin-1-yl]methyl]cyclohexa-2,5-dien-1-one CAS Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(2-pyridinyl)-1-piperazinyl]methyl]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[(4-pyridin-2-ylpiperazin-1-yl)methyl]cyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-(3H-1,3-benzothiazol-2-ylidene)-2-[[4-(2-pyridyl)piperazino]methyl]cyclohexa-2,5-dien-1-one Formula: C23H22N4OS MolecularWeight: 402.51198

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=C3NC4=CC=CC=C4S3)C=CC2=O)C5=CC=CC=N5

Isomeric SMILES

C1CN(CCN1CC2=C/C(=C/3\NC4=CC=CC=C4S3)/C=CC2=O)C5=CC=CC=N5

InChI

InChI=1S/C23H22N4OS/c28-20-9-8-17(23-25-19-5-1-2-6-21(19)29-23)15-18(20)16-26-11-13-27(14-12-26)22-7-3-4-10-24-22/h1-10,15,25H,11-14,16H2/b23-17+