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

Systemtic Name: 3-[(4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-1,4-diazepan-1-yl)methyl]benzenecarbonitrile Openeye Name: 3-[[4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 3-[[4-[2-imidazo[2,1-b][1,3]benzothiazolyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 3-[[4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 3-[[4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C23H21N5OS MolecularWeight: 415.51074

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CN3C4=CC=CC=C4SC3=N2)CC5=CC=CC(=C5)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN3C4=CC=CC=C4SC3=N2)CC5=CC=CC(=C5)C#N

InChI

InChI=1S/C23H21N5OS/c24-14-17-5-3-6-18(13-17)15-26-9-4-10-27(12-11-26)22(29)19-16-28-20-7-1-2-8-21(20)30-23(28)25-19/h1-3,5-8,13,16H,4,9-12,15H2