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

Systemtic Name: 1-(4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-1,4-diazepan-1-yl)-2-thiophen-2-yl-ethanone Openeye Name: 1-[4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone CAS Name: 1-[4-[2-imidazo[2,1-b][1,3]benzothiazolyl(oxo)methyl]-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone IUPAC Name: 1-[4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepan-1-yl]-2-thiophen-2-ylethanone Traditional Name: 1-[4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepan-1-yl]-2-(2-thienyl)ethanone Formula: C21H20N4O2S2 MolecularWeight: 424.5391

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN3C4=CC=CC=C4SC3=N2)C(=O)CC5=CC=CS5

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN3C4=CC=CC=C4SC3=N2)C(=O)CC5=CC=CS5

InChI

InChI=1S/C21H20N4O2S2/c26-19(13-15-5-3-12-28-15)23-8-4-9-24(11-10-23)20(27)16-14-25-17-6-1-2-7-18(17)29-21(25)22-16/h1-3,5-7,12,14H,4,8-11,13H2