N-[5-(azepan-1-ylcarbonyl)-2-(4-methylphenyl)sulfanyl-phenyl]ethanamide

Systemtic Name: N-[5-(azepan-1-ylcarbonyl)-2-(4-methylphenyl)sulfanyl-phenyl]ethanamide Openeye Name: N-[5-(azepane-1-carbonyl)-2-(p-tolylsulfanyl)phenyl]acetamide CAS Name: N-[5-[1-azepanyl(oxo)methyl]-2-[(4-methylphenyl)thio]phenyl]acetamide IUPAC Name: N-[5-(azepane-1-carbonyl)-2-(4-methylphenyl)sulfanylphenyl]acetamide Traditional Name: N-[5-(azepane-1-carbonyl)-2-(p-tolylthio)phenyl]acetamide Formula: C22H26N2O2S MolecularWeight: 382.51904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCCCCC3)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)N3CCCCCC3)NC(=O)C

InChI

InChI=1S/C22H26N2O2S/c1-16-7-10-19(11-8-16)27-21-12-9-18(15-20(21)23-17(2)25)22(26)24-13-5-3-4-6-14-24/h7-12,15H,3-6,13-14H2,1-2H3,(H,23,25)