4-[[4-(1,3-benzothiazol-6-ylcarbonyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(1,3-benzothiazol-6-ylcarbonyl)-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(1,3-benzothiazole-6-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1,3-benzothiazol-6-yl(oxo)methyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-(1,3-benzothiazole-6-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(1,3-benzothiazole-6-carbonyl)-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)N=CS3)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)C2=CC3=C(C=C2)N=CS3)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H20N4OS/c22-13-16-2-4-17(5-3-16)14-24-8-1-9-25(11-10-24)21(26)18-6-7-19-20(12-18)27-15-23-19/h2-7,12,15H,1,8-11,14H2