N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-heptyl-benzamide

Systemtic Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-heptyl-benzamide Openeye Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-heptyl-benzamide CAS Name: N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]-4-heptylbenzamide IUPAC Name: N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-4-heptylbenzamide Traditional Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]-4-heptyl-benzamide Formula: C26H31N3OS MolecularWeight: 433.60884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C26H31N3OS/c1-4-5-6-7-8-9-21-10-12-22(13-11-21)25(30)29-23-14-16-24(17-15-23)31-26-27-19(2)18-20(3)28-26/h10-18H,4-9H2,1-3H3,(H,29,30)