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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-3-bromanyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-bromo-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-3-bromobenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-3-bromobenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-3-bromo-benzamide Formula: C19H23BrN2OS MolecularWeight: 407.36772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2OS/c20-17-7-5-6-15(12-17)19(23)21-13-18(16-8-11-24-14-16)22-9-3-1-2-4-10-22/h5-8,11-12,14,18H,1-4,9-10,13H2,(H,21,23)