N-[4-(azepan-1-yl)phenyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]ethanamide Openeye Name: 2-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-N-[4-(azepan-1-yl)phenyl]acetamide CAS Name: 2-[(5-acetyl-2-methoxyphenyl)methylthio]-N-[4-(1-azepanyl)phenyl]acetamide IUPAC Name: 2-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-N-[4-(azepan-1-yl)phenyl]acetamide Traditional Name: 2-[(5-acetyl-2-methoxy-benzyl)thio]-N-[4-(azepan-1-yl)phenyl]acetamide Formula: C24H30N2O3S MolecularWeight: 426.5716

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC(=O)NC2=CC=C(C=C2)N3CCCCCC3

InChI

InChI=1S/C24H30N2O3S/c1-18(27)19-7-12-23(29-2)20(15-19)16-30-17-24(28)25-21-8-10-22(11-9-21)26-13-5-3-4-6-14-26/h7-12,15H,3-6,13-14,16-17H2,1-2H3,(H,25,28)