4-[[4-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(3-oxidanylidene-4H-1,4-benzothiazin-6-yl)carbonyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[oxo-(3-oxo-4H-1,4-benzothiazin-6-yl)methyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-(3-oxo-4H-1,4-benzothiazine-6-carbonyl)piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-(3-keto-4H-1,4-benzothiazine-6-carbonyl)piperazino]methyl]benzonitrile Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C3=CC4=C(C=C3)SCC(=O)N4

InChI

InChI=1S/C21H20N4O2S/c22-12-15-1-3-16(4-2-15)13-24-7-9-25(10-8-24)21(27)17-5-6-19-18(11-17)23-20(26)14-28-19/h1-6,11H,7-10,13-14H2,(H,23,26)