4-heptyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide

Systemtic Name: 4-heptyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide Openeye Name: 4-heptyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide CAS Name: 4-heptyl-N-[(2-pyrimidinylamino)-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptyl-N-(pyrimidin-2-ylcarbamothioyl)benzamide Traditional Name: 4-heptyl-N-(2-pyrimidylthiocarbamoyl)benzamide Formula: C19H24N4OS MolecularWeight: 356.48506

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=CC=N2

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C(=O)NC(=S)NC2=NC=CC=N2

InChI

InChI=1S/C19H24N4OS/c1-2-3-4-5-6-8-15-9-11-16(12-10-15)17(24)22-19(25)23-18-20-13-7-14-21-18/h7,9-14H,2-6,8H2,1H3,(H2,20,21,22,23,24,25)