N-[4-(azepan-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[4-(azepan-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-ethanamide Openeye Name: N-[4-(azepan-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanyl-acetamide CAS Name: N-[4-(1-azepanyl)phenyl]-2-[(4,5,6-trimethyl-2-pyrimidinyl)thio]acetamide IUPAC Name: N-[4-(azepan-1-yl)phenyl]-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide Traditional Name: N-[4-(azepan-1-yl)phenyl]-2-[(4,5,6-trimethylpyrimidin-2-yl)thio]acetamide Formula: C21H28N4OS MolecularWeight: 384.53822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N=C1C)SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3)C

Isomeric SMILES

CC1=C(N=C(N=C1C)SCC(=O)NC2=CC=C(C=C2)N3CCCCCC3)C

InChI

InChI=1S/C21H28N4OS/c1-15-16(2)22-21(23-17(15)3)27-14-20(26)24-18-8-10-19(11-9-18)25-12-6-4-5-7-13-25/h8-11H,4-7,12-14H2,1-3H3,(H,24,26)