2-[2-(azepan-1-ylcarbonyl)phenyl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide

Systemtic Name: 2-[2-(azepan-1-ylcarbonyl)phenyl]sulfanyl-N-(3,4-dimethoxyphenyl)ethanamide Openeye Name: 2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide CAS Name: 2-[[2-[1-azepanyl(oxo)methyl]phenyl]thio]-N-(3,4-dimethoxyphenyl)acetamide IUPAC Name: 2-[2-(azepane-1-carbonyl)phenyl]sulfanyl-N-(3,4-dimethoxyphenyl)acetamide Traditional Name: 2-[[2-(azepane-1-carbonyl)phenyl]thio]-N-(3,4-dimethoxyphenyl)acetamide Formula: C23H28N2O4S MolecularWeight: 428.54442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCCCCC3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)CSC2=CC=CC=C2C(=O)N3CCCCCC3)OC

InChI

InChI=1S/C23H28N2O4S/c1-28-19-12-11-17(15-20(19)29-2)24-22(26)16-30-21-10-6-5-9-18(21)23(27)25-13-7-3-4-8-14-25/h5-6,9-12,15H,3-4,7-8,13-14,16H2,1-2H3,(H,24,26)