(E)-3-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-(1,3-benzothiazol-2-yl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-(1,3-benzothiazol-2-yl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-(1,3-benzothiazol-2-yl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C18H17N5OS MolecularWeight: 351.42548

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CC=N2)C(=O)C=CC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C18H17N5OS/c24-17(7-6-16-21-14-4-1-2-5-15(14)25-16)22-10-12-23(13-11-22)18-19-8-3-9-20-18/h1-9H,10-13H2/b7-6+