4-tert-butyl-N-[3-(octanoylcarbamothioylamino)phenyl]benzamide

Systemtic Name: 4-tert-butyl-N-[3-(octanoylcarbamothioylamino)phenyl]benzamide Openeye Name: 4-tert-butyl-N-[3-(octanoylcarbamothioylamino)phenyl]benzamide CAS Name: 4-tert-butyl-N-[3-[[(1-oxooctylamino)-sulfanylidenemethyl]amino]phenyl]benzamide IUPAC Name: 4-tert-butyl-N-[3-(octanoylcarbamothioylamino)phenyl]benzamide Traditional Name: 4-tert-butyl-N-[3-(caprylylthiocarbamoylamino)phenyl]benzamide Formula: C26H35N3O2S MolecularWeight: 453.64

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C26H35N3O2S/c1-5-6-7-8-9-13-23(30)29-25(32)28-22-12-10-11-21(18-22)27-24(31)19-14-16-20(17-15-19)26(2,3)4/h10-12,14-18H,5-9,13H2,1-4H3,(H,27,31)(H2,28,29,30,32)