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

Systemtic Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-yl-ethyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[2-(4-dimethylaminophenyl)-2-(1-pyrrolidinyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidin-1-ylethyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[2-(4-dimethylaminophenyl)-2-pyrrolidino-ethyl]piazthiole-5-carboxamide Formula: C21H25N5OS MolecularWeight: 395.5211

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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)N4CCCC4

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(CNC(=O)C2=CC3=NSN=C3C=C2)N4CCCC4

InChI

InChI=1S/C21H25N5OS/c1-25(2)17-8-5-15(6-9-17)20(26-11-3-4-12-26)14-22-21(27)16-7-10-18-19(13-16)24-28-23-18/h5-10,13,20H,3-4,11-12,14H2,1-2H3,(H,22,27)