4-[[4-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(3-oxidanylidene-4H-1,4-benzothiazin-2-yl)ethanoyl]-1,4-diazepan-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[1-oxo-2-(3-oxo-4H-1,4-benzothiazin-2-yl)ethyl]-1,4-diazepan-1-yl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(3-oxo-4H-1,4-benzothiazin-2-yl)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(3-keto-4H-1,4-benzothiazin-2-yl)acetyl]-1,4-diazepan-1-yl]methyl]benzonitrile Formula: C23H24N4O2S MolecularWeight: 420.52726

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)CC2C(=O)NC3=CC=CC=C3S2)CC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CN(CCN(C1)C(=O)CC2C(=O)NC3=CC=CC=C3S2)CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H24N4O2S/c24-15-17-6-8-18(9-7-17)16-26-10-3-11-27(13-12-26)22(28)14-21-23(29)25-19-4-1-2-5-20(19)30-21/h1-2,4-9,21H,3,10-14,16H2,(H,25,29)