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

Systemtic Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide Openeye Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide CAS Name: N-[2-(1-azepanyl)-2-(1-methyl-2-pyrrolyl)ethyl]-1,3-benzothiazole-2-carboxamide IUPAC Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide Traditional Name: N-[2-(azepan-1-yl)-2-(1-methylpyrrol-2-yl)ethyl]-1,3-benzothiazole-2-carboxamide Formula: C21H26N4OS MolecularWeight: 382.52234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CC=C1C(CNC(=O)C2=NC3=CC=CC=C3S2)N4CCCCCC4

Isomeric SMILES

CN1C=CC=C1C(CNC(=O)C2=NC3=CC=CC=C3S2)N4CCCCCC4

InChI

InChI=1S/C21H26N4OS/c1-24-12-8-10-17(24)18(25-13-6-2-3-7-14-25)15-22-20(26)21-23-16-9-4-5-11-19(16)27-21/h4-5,8-12,18H,2-3,6-7,13-15H2,1H3,(H,22,26)