4-(1,3-benzothiazol-2-yl)-1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]butan-1-one

Systemtic Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-bromanylpyridin-2-yl)piperazin-1-yl]butan-1-one Openeye Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-bromo-2-pyridyl)piperazin-1-yl]butan-1-one CAS Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-bromo-2-pyridinyl)-1-piperazinyl]-1-butanone IUPAC Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-bromopyridin-2-yl)piperazin-1-yl]butan-1-one Traditional Name: 4-(1,3-benzothiazol-2-yl)-1-[4-(5-bromo-2-pyridyl)piperazino]butan-1-one Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CCCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CN(CCN1C2=NC=C(C=C2)Br)C(=O)CCCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H21BrN4OS/c21-15-8-9-18(22-14-15)24-10-12-25(13-11-24)20(26)7-3-6-19-23-16-4-1-2-5-17(16)27-19/h1-2,4-5,8-9,14H,3,6-7,10-13H2