N-[4-[(octanoylcarbamothioylamino)carbamoyl]phenyl]benzamide

Systemtic Name: N-[4-[(octanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Openeye Name: N-[4-[(octanoylcarbamothioylamino)carbamoyl]phenyl]benzamide CAS Name: N-[4-[oxo-[[(1-oxooctylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: N-[4-[(octanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Traditional Name: N-[4-[(caprylylthiocarbamoylamino)carbamoyl]phenyl]benzamide Formula: C23H28N4O3S MolecularWeight: 440.55842

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C23H28N4O3S/c1-2-3-4-5-9-12-20(28)25-23(31)27-26-22(30)18-13-15-19(16-14-18)24-21(29)17-10-7-6-8-11-17/h6-8,10-11,13-16H,2-5,9,12H2,1H3,(H,24,29)(H,26,30)(H2,25,27,28,31)