2-[2-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]sulfanylethanamide

Systemtic Name: 2-[2-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]carbonyl]phenyl]sulfanylethanamide Openeye Name: 2-[2-[4-(p-tolylmethyl)-1,4-diazepane-1-carbonyl]phenyl]sulfanylacetamide CAS Name: 2-[[2-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]-oxomethyl]phenyl]thio]acetamide IUPAC Name: 2-[2-[4-[(4-methylphenyl)methyl]-1,4-diazepane-1-carbonyl]phenyl]sulfanylacetamide Traditional Name: 2-[[2-[4-(4-methylbenzyl)-1,4-diazepane-1-carbonyl]phenyl]thio]acetamide Formula: C22H27N3O2S MolecularWeight: 397.53368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C22H27N3O2S/c1-17-7-9-18(10-8-17)15-24-11-4-12-25(14-13-24)22(27)19-5-2-3-6-20(19)28-16-21(23)26/h2-3,5-10H,4,11-16H2,1H3,(H2,23,26)