2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[4-(phenylmethyl)-1,4-diazepan-1-yl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-(4-benzyl-1,4-diazepan-1-yl)-N-[2-(phenylthio)phenyl]acetamide Formula: C26H29N3OS MolecularWeight: 431.59296

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN(C1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C26H29N3OS/c30-26(27-24-14-7-8-15-25(24)31-23-12-5-2-6-13-23)21-29-17-9-16-28(18-19-29)20-22-10-3-1-4-11-22/h1-8,10-15H,9,16-21H2,(H,27,30)