(4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-1,4-diazepan-1-yl)-pyridin-3-yl-methanone

Systemtic Name: (4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-1,4-diazepan-1-yl)-pyridin-3-yl-methanone Openeye Name: [4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepan-1-yl]-(3-pyridyl)methanone CAS Name: [4-[2-imidazo[2,1-b][1,3]benzothiazolyl(oxo)methyl]-1,4-diazepan-1-yl]-(3-pyridinyl)methanone IUPAC Name: [4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepan-1-yl]-pyridin-3-ylmethanone Traditional Name: [4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepan-1-yl]-(3-pyridyl)methanone Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN3C4=CC=CC=C4SC3=N2)C(=O)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN3C4=CC=CC=C4SC3=N2)C(=O)C5=CN=CC=C5

InChI

InChI=1S/C21H19N5O2S/c27-19(15-5-3-8-22-13-15)24-9-4-10-25(12-11-24)20(28)16-14-26-17-6-1-2-7-18(17)29-21(26)23-16/h1-3,5-8,13-14H,4,9-12H2