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

Systemtic Name: 2-[(4-imidazo[2,1-b][1,3]benzothiazol-2-ylcarbonyl-1,4-diazepan-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[[4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 2-[[4-[2-imidazo[2,1-b][1,3]benzothiazolyl(oxo)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 2-[[4-(imidazo[2,1-b][1,3]benzothiazole-2-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 2-[[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=C5C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CN3C4=CC=CC=C4SC3=N2)CC5=CC=CC=C5C#N

InChI

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