1-phenyl-4-[4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butyl]piperazine-2-carbonitrile

Systemtic Name: 1-phenyl-4-[4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]butyl]piperazine-2-carbonitrile Openeye Name: 1-phenyl-4-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperazine-2-carbonitrile CAS Name: 1-phenyl-4-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]-2-piperazinecarbonitrile IUPAC Name: 1-phenyl-4-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperazine-2-carbonitrile Traditional Name: 1-phenyl-4-[4-(1,1,3-triketo-1,2-benzothiazol-2-yl)butyl]piperazine-2-carbonitrile Formula: C22H24N4O3S MolecularWeight: 424.51596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N)C4=CC=CC=C4

Isomeric SMILES

C1CN(C(CN1CCCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C#N)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4O3S/c23-16-19-17-24(14-15-25(19)18-8-2-1-3-9-18)12-6-7-13-26-22(27)20-10-4-5-11-21(20)30(26,28)29/h1-5,8-11,19H,6-7,12-15,17H2