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

Systemtic Name: 3-[(4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-1,4-diazepan-1-yl)carbonyl]benzenecarbonitrile Openeye Name: 3-[4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile CAS Name: 3-[[4-[2-imidazo[2,1-b][1,3]benzothiazolyl(oxo)methyl]-1,4-diazepan-1-yl]-oxomethyl]benzonitrile IUPAC Name: 3-[4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile Traditional Name: 3-[4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepane-1-carbonyl]benzonitrile Formula: C23H19N5O2S MolecularWeight: 429.49426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H19N5O2S/c24-14-16-5-3-6-17(13-16)21(29)26-9-4-10-27(12-11-26)22(30)18-15-28-19-7-1-2-8-20(19)31-23(28)25-18/h1-3,5-8,13,15H,4,9-12H2