N-[4-[[4-(2-phenyl-2-phenylsulfanyl-ethanoyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide

Systemtic Name: N-[4-[[4-(2-phenyl-2-phenylsulfanyl-ethanoyl)-1,4-diazepan-1-yl]methyl]phenyl]ethanamide Openeye Name: N-[4-[[4-(2-phenyl-2-phenylsulfanyl-acetyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide CAS Name: N-[4-[[4-[1-oxo-2-phenyl-2-(phenylthio)ethyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide IUPAC Name: N-[4-[[4-(2-phenyl-2-phenylsulfanylacetyl)-1,4-diazepan-1-yl]methyl]phenyl]acetamide Traditional Name: N-[4-[[4-[2-phenyl-2-(phenylthio)acetyl]-1,4-diazepan-1-yl]methyl]phenyl]acetamide Formula: C28H31N3O2S MolecularWeight: 473.62964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)CN2CCCN(CC2)C(=O)C(C3=CC=CC=C3)SC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O2S/c1-22(32)29-25-15-13-23(14-16-25)21-30-17-8-18-31(20-19-30)28(33)27(24-9-4-2-5-10-24)34-26-11-6-3-7-12-26/h2-7,9-16,27H,8,17-21H2,1H3,(H,29,32)