N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(4-methyl-1-piperazinyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-(4-methylpiperazino)ethyl]piazthiole-5-carboxamide Formula: C22H28N6OS MolecularWeight: 424.56232

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(CNC(=O)C2=CC3=NSN=C3C=C2)C4=CC=C(C=C4)N(C)C

Isomeric SMILES

CN1CCN(CC1)C(CNC(=O)C2=CC3=NSN=C3C=C2)C4=CC=C(C=C4)N(C)C

InChI

InChI=1S/C22H28N6OS/c1-26(2)18-7-4-16(5-8-18)21(28-12-10-27(3)11-13-28)15-23-22(29)17-6-9-19-20(14-17)25-30-24-19/h4-9,14,21H,10-13,15H2,1-3H3,(H,23,29)