2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide

Systemtic Name: 2-[4-[2-(tert-butylamino)-2-oxidanylidene-ethyl]-1,4-diazepan-1-yl]-N-(2-phenylsulfanylphenyl)ethanamide Openeye Name: 2-[4-[2-(tert-butylamino)-2-oxo-ethyl]-1,4-diazepan-1-yl]-N-(2-phenylsulfanylphenyl)acetamide CAS Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-[2-(phenylthio)phenyl]acetamide IUPAC Name: 2-[4-[2-(tert-butylamino)-2-oxoethyl]-1,4-diazepan-1-yl]-N-(2-phenylsulfanylphenyl)acetamide Traditional Name: 2-[4-[2-(tert-butylamino)-2-keto-ethyl]-1,4-diazepan-1-yl]-N-[2-(phenylthio)phenyl]acetamide Formula: C25H34N4O2S MolecularWeight: 454.62806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)CN1CCCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)NC(=O)CN1CCCN(CC1)CC(=O)NC2=CC=CC=C2SC3=CC=CC=C3

InChI

InChI=1S/C25H34N4O2S/c1-25(2,3)27-24(31)19-29-15-9-14-28(16-17-29)18-23(30)26-21-12-7-8-13-22(21)32-20-10-5-4-6-11-20/h4-8,10-13H,9,14-19H2,1-3H3,(H,26,30)(H,27,31)