N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(2-oxidanylideneazocan-1-yl)ethanamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(2-oxidanylideneazocan-1-yl)ethanamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(2-oxoazocan-1-yl)acetamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-2-(2-oxo-1-azocanyl)acetamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(2-oxoazocan-1-yl)acetamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-2-(2-ketoazocan-1-yl)acetamide Formula: C21H26N4O2S MolecularWeight: 398.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CN3CCCCCCC3=O)C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)CN3CCCCCCC3=O)C

InChI

InChI=1S/C21H26N4O2S/c1-15-13-16(2)23-21(22-15)28-18-10-8-17(9-11-18)24-19(26)14-25-12-6-4-3-5-7-20(25)27/h8-11,13H,3-7,12,14H2,1-2H3,(H,24,26)