N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]piazthiole-5-carboxamide Formula: C20H25N5OS MolecularWeight: 383.5104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=CC3=NSN=C3C=C2)N4CCCCCC4

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=CC3=NSN=C3C=C2)N4CCCCCC4

InChI

InChI=1S/C20H25N5OS/c1-24-10-6-7-18(24)19(25-11-4-2-3-5-12-25)14-21-20(26)15-8-9-16-17(13-15)23-27-22-16/h6-10,13,19H,2-5,11-12,14H2,1H3,(H,21,26)