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

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenyl-1-piperazinyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazin-1-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-(4-phenylpiperazino)ethyl]piazthiole-5-carboxamide Formula: C27H30N6OS MolecularWeight: 486.6317

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC3=NSN=C3C=C2)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC3=NSN=C3C=C2)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H30N6OS/c1-31(2)22-11-8-20(9-12-22)26(33-16-14-32(15-17-33)23-6-4-3-5-7-23)19-28-27(34)21-10-13-24-25(18-21)30-35-29-24/h3-13,18,26H,14-17,19H2,1-2H3,(H,28,34)