N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenoxyethylsulfanyl)ethanoyl]-1,4-diazepan-1-yl]ethanamide

Systemtic Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenoxyethylsulfanyl)ethanoyl]-1,4-diazepan-1-yl]ethanamide Openeye Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenoxyethylsulfanyl)acetyl]-1,4-diazepan-1-yl]acetamide CAS Name: N-(2,6-dimethylphenyl)-2-[4-[1-oxo-2-(2-phenoxyethylthio)ethyl]-1,4-diazepan-1-yl]acetamide IUPAC Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenoxyethylsulfanyl)acetyl]-1,4-diazepan-1-yl]acetamide Traditional Name: N-(2,6-dimethylphenyl)-2-[4-[2-(2-phenoxyethylthio)acetyl]-1,4-diazepan-1-yl]acetamide Formula: C25H33N3O3S MolecularWeight: 455.61282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)CSCCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=CC=C1)C)NC(=O)CN2CCCN(CC2)C(=O)CSCCOC3=CC=CC=C3

InChI

InChI=1S/C25H33N3O3S/c1-20-8-6-9-21(2)25(20)26-23(29)18-27-12-7-13-28(15-14-27)24(30)19-32-17-16-31-22-10-4-3-5-11-22/h3-6,8-11H,7,12-19H2,1-2H3,(H,26,29)