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

Systemtic Name: 3-methyl-N-[4-[(octanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Openeye Name: 3-methyl-N-[4-[(octanoylcarbamothioylamino)carbamoyl]phenyl]benzamide CAS Name: 3-methyl-N-[4-[oxo-[[(1-oxooctylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 3-methyl-N-[4-[(octanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Traditional Name: N-[4-[(caprylylthiocarbamoylamino)carbamoyl]phenyl]-3-methyl-benzamide Formula: C24H30N4O3S MolecularWeight: 454.585

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C24H30N4O3S/c1-3-4-5-6-7-11-21(29)26-24(32)28-27-23(31)18-12-14-20(15-13-18)25-22(30)19-10-8-9-17(2)16-19/h8-10,12-16H,3-7,11H2,1-2H3,(H,25,30)(H,27,31)(H2,26,28,29,32)