2-(azepan-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide

Systemtic Name: 2-(azepan-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]ethanamide Openeye Name: 2-(azepan-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide CAS Name: 2-(1-azepanyl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide IUPAC Name: 2-(azepan-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Traditional Name: 2-(azepan-1-yl)-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide Formula: C22H25N3OS MolecularWeight: 379.5184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4CCCCCC4

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CN4CCCCCC4

InChI

InChI=1S/C22H25N3OS/c1-16-6-11-19-20(14-16)27-22(24-19)17-7-9-18(10-8-17)23-21(26)15-25-12-4-2-3-5-13-25/h6-11,14H,2-5,12-13,15H2,1H3,(H,23,26)