4-heptyl-N-[(6-methylpyridin-2-yl)carbamothioyl]benzamide

Systemtic Name: 4-heptyl-N-[(6-methylpyridin-2-yl)carbamothioyl]benzamide Openeye Name: 4-heptyl-N-[(6-methyl-2-pyridyl)carbamothioyl]benzamide CAS Name: 4-heptyl-N-[[(6-methyl-2-pyridinyl)amino]-sulfanylidenemethyl]benzamide IUPAC Name: 4-heptyl-N-[(6-methylpyridin-2-yl)carbamothioyl]benzamide Traditional Name: 4-heptyl-N-[(6-methyl-2-pyridyl)thiocarbamoyl]benzamide Formula: C21H27N3OS MolecularWeight: 369.52358

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3OS/c1-3-4-5-6-7-10-17-12-14-18(15-13-17)20(25)24-21(26)23-19-11-8-9-16(2)22-19/h8-9,11-15H,3-7,10H2,1-2H3,(H2,22,23,24,25,26)