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

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(1,3-benzothiazol-2-ylmethoxy)ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(1,3-benzothiazol-2-ylmethoxy)acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-(1,3-benzothiazol-2-ylmethoxy)acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(1,3-benzothiazol-2-ylmethoxy)acetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-(1,3-benzothiazol-2-ylmethoxy)acetamide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCCN(CC1)C2=CC=C(C=C2)NC(=O)COCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H25N3O2S/c26-21(15-27-16-22-24-19-7-3-4-8-20(19)28-22)23-17-9-11-18(12-10-17)25-13-5-1-2-6-14-25/h3-4,7-12H,1-2,5-6,13-16H2,(H,23,26)