N-(2-cyanophenyl)-4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-1,4-diazepane-1-carboxamide

Systemtic Name: N-(2-cyanophenyl)-4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-1,4-diazepane-1-carboxamide Openeye Name: N-(2-cyanophenyl)-4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepane-1-carboxamide CAS Name: N-(2-cyanophenyl)-4-[2-imidazo[2,1-b][1,3]benzothiazolyl(oxo)methyl]-1,4-diazepane-1-carboxamide IUPAC Name: N-(2-cyanophenyl)-4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepane-1-carboxamide Traditional Name: N-(2-cyanophenyl)-4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepane-1-carboxamide Formula: C23H20N6O2S MolecularWeight: 444.5089

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2C#N)C(=O)C3=CN4C5=CC=CC=C5SC4=N3

Isomeric SMILES

C1CN(CCN(C1)C(=O)NC2=CC=CC=C2C#N)C(=O)C3=CN4C5=CC=CC=C5SC4=N3

InChI

InChI=1S/C23H20N6O2S/c24-14-16-6-1-2-7-17(16)25-22(31)28-11-5-10-27(12-13-28)21(30)18-15-29-19-8-3-4-9-20(19)32-23(29)26-18/h1-4,6-9,15H,5,10-13H2,(H,25,31)