[5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]methanone

Systemtic Name: [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]methanone Openeye Name: [5-(1,3-benzothiazol-2-yl)-2-thienyl]-[4-(5-bromo-2-pyridyl)piperazin-1-yl]methanone CAS Name: [5-(1,3-benzothiazol-2-yl)-2-thiophenyl]-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]methanone IUPAC Name: [5-(1,3-benzothiazol-2-yl)thiophen-2-yl]-[4-(5-bromopyridin-2-yl)piperazin-1-yl]methanone Traditional Name: [5-(1,3-benzothiazol-2-yl)-2-thienyl]-[4-(5-bromo-2-pyridyl)piperazino]methanone Formula: C21H17BrN4OS2 MolecularWeight: 485.41988

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)C3=CC=C(S3)C4=NC5=CC=CC=C5S4

InChI

InChI=1S/C21H17BrN4OS2/c22-14-5-8-19(23-13-14)25-9-11-26(12-10-25)21(27)18-7-6-17(28-18)20-24-15-3-1-2-4-16(15)29-20/h1-8,13H,9-12H2