N-[4-(azepan-1-yl)phenyl]-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[1,3-benzothiazol-2-ylmethyl(methyl)amino]acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4

Isomeric SMILES

CN(CC1=NC2=CC=CC=C2S1)CC(=O)NC3=CC=C(C=C3)N4CCCCCC4

InChI

InChI=1S/C23H28N4OS/c1-26(17-23-25-20-8-4-5-9-21(20)29-23)16-22(28)24-18-10-12-19(13-11-18)27-14-6-2-3-7-15-27/h4-5,8-13H,2-3,6-7,14-17H2,1H3,(H,24,28)