N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(4-fluorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[2-(azepan-1-yl)-2-thiophen-3-yl-ethyl]-2-(4-fluorophenyl)sulfanyl-ethanamide Openeye Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-(4-fluorophenyl)sulfanyl-acetamide CAS Name: N-[2-(1-azepanyl)-2-(3-thiophenyl)ethyl]-2-[(4-fluorophenyl)thio]acetamide IUPAC Name: N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-2-(4-fluorophenyl)sulfanylacetamide Traditional Name: N-[2-(azepan-1-yl)-2-(3-thienyl)ethyl]-2-[(4-fluorophenyl)thio]acetamide Formula: C20H25FN2OS2 MolecularWeight: 392.553703

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(CNC(=O)CSC2=CC=C(C=C2)F)C3=CSC=C3

Isomeric SMILES

C1CCCN(CC1)C(CNC(=O)CSC2=CC=C(C=C2)F)C3=CSC=C3

InChI

InChI=1S/C20H25FN2OS2/c21-17-5-7-18(8-6-17)26-15-20(24)22-13-19(16-9-12-25-14-16)23-10-3-1-2-4-11-23/h5-9,12,14,19H,1-4,10-11,13,15H2,(H,22,24)