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

Systemtic Name: 4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide Openeye Name: 4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide CAS Name: 4-butyl-N-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]phenyl]benzamide IUPAC Name: 4-butyl-N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]benzamide Traditional Name: 4-butyl-N-[4-[(4,6-dimethylpyrimidin-2-yl)thio]phenyl]benzamide Formula: C23H25N3OS MolecularWeight: 391.5291

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)SC3=NC(=CC(=N3)C)C

InChI

InChI=1S/C23H25N3OS/c1-4-5-6-18-7-9-19(10-8-18)22(27)26-20-11-13-21(14-12-20)28-23-24-16(2)15-17(3)25-23/h7-15H,4-6H2,1-3H3,(H,26,27)