4-heptyl-N-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]benzamide

Systemtic Name: 4-heptyl-N-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]benzamide Openeye Name: 4-heptyl-N-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]benzamide CAS Name: 4-heptyl-N-[4-[(4-methyl-2-pyrimidinyl)thio]phenyl]benzamide IUPAC Name: 4-heptyl-N-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]benzamide Traditional Name: 4-heptyl-N-[4-[(4-methylpyrimidin-2-yl)thio]phenyl]benzamide Formula: C25H29N3OS MolecularWeight: 419.58226

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3OS/c1-3-4-5-6-7-8-20-9-11-21(12-10-20)24(29)28-22-13-15-23(16-14-22)30-25-26-18-17-19(2)27-25/h9-18H,3-8H2,1-2H3,(H,28,29)