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

Systemtic Name: 4-tert-butyl-N-[4-[(octanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Openeye Name: 4-tert-butyl-N-[4-[(octanoylcarbamothioylamino)carbamoyl]phenyl]benzamide CAS Name: 4-tert-butyl-N-[4-[oxo-[[(1-oxooctylamino)-sulfanylidenemethyl]hydrazo]methyl]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[4-[(octanoylcarbamothioylamino)carbamoyl]phenyl]benzamide Traditional Name: 4-tert-butyl-N-[4-[(caprylylthiocarbamoylamino)carbamoyl]phenyl]benzamide Formula: C27H36N4O3S MolecularWeight: 496.66474

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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=C(C=C2)C(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C27H36N4O3S/c1-5-6-7-8-9-10-23(32)29-26(35)31-30-25(34)20-13-17-22(18-14-20)28-24(33)19-11-15-21(16-12-19)27(2,3)4/h11-18H,5-10H2,1-4H3,(H,28,33)(H,30,34)(H2,29,31,32,35)