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

Systemtic Name: N-phenyl-2-[4-(2-phenyl-2-phenylsulfanyl-ethanoyl)-1,4-diazepan-1-yl]ethanamide Openeye Name: N-phenyl-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-phenylacetamide IUPAC Name: N-phenyl-2-[4-(2-phenyl-2-phenylsulfanylacetyl)-1,4-diazepan-1-yl]acetamide Traditional Name: N-phenyl-2-[4-[2-phenyl-2-(phenylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C27H29N3O2S MolecularWeight: 459.60306

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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)NC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C27H29N3O2S/c31-25(28-23-13-6-2-7-14-23)21-29-17-10-18-30(20-19-29)27(32)26(22-11-4-1-5-12-22)33-24-15-8-3-9-16-24/h1-9,11-16,26H,10,17-21H2,(H,28,31)