N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-5-bromanyl-2-chloranyl-benzamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-5-bromanyl-2-chloranyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-bromo-2-chloro-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-5-bromo-2-chlorobenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-5-bromo-2-chlorobenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-5-bromo-2-chloro-benzamide Formula: C19H22BrClN2OS MolecularWeight: 441.81278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=C(C=CC(=C2)Br)Cl)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=C(C=CC(=C2)Br)Cl)C3=CSC=C3

InChI

InChI=1S/C19H22BrClN2OS/c20-15-5-6-17(21)16(11-15)19(24)22-12-18(14-7-10-25-13-14)23-8-3-1-2-4-9-23/h5-7,10-11,13,18H,1-4,8-9,12H2,(H,22,24)