N-[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)phenyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[4-[4-(thiophene-2-carbonyl)piperazin-1-yl]phenyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[4-[4-(2-thenoyl)piperazino]phenyl]piazthiole-5-carboxamide Formula: C22H19N5O2S2 MolecularWeight: 449.54856

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=NSN=C4C=C3)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)NC(=O)C3=CC4=NSN=C4C=C3)C(=O)C5=CC=CS5

InChI

InChI=1S/C22H19N5O2S2/c28-21(15-3-8-18-19(14-15)25-31-24-18)23-16-4-6-17(7-5-16)26-9-11-27(12-10-26)22(29)20-2-1-13-30-20/h1-8,13-14H,9-12H2,(H,23,28)