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

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-iodanyl-benzamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-iodo-benzamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-iodobenzamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-iodobenzamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-iodo-benzamide Formula: C19H23IN2OS MolecularWeight: 454.36819

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)C2=CC=CC=C2I)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)C2=CC=CC=C2I)C3=CSC=C3

InChI

InChI=1S/C19H23IN2OS/c20-17-8-4-3-7-16(17)19(23)21-13-18(15-9-12-24-14-15)22-10-5-1-2-6-11-22/h3-4,7-9,12,14,18H,1-2,5-6,10-11,13H2,(H,21,23)