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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC(=O)NCC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC(=O)NCC4=CC=CC=C4

InChI

InChI=1S/C28H31N3O2S/c32-26(29-21-23-11-4-1-5-12-23)22-30-17-10-18-31(20-19-30)28(33)27(24-13-6-2-7-14-24)34-25-15-8-3-9-16-25/h1-9,11-16,27H,10,17-22H2,(H,29,32)