N-[3-(tert-butylcarbamothioylamino)phenyl]octanamide

Systemtic Name: N-[3-(tert-butylcarbamothioylamino)phenyl]octanamide Openeye Name: N-[3-(tert-butylcarbamothioylamino)phenyl]octanamide CAS Name: N-[3-[[(tert-butylamino)-sulfanylidenemethyl]amino]phenyl]octanamide IUPAC Name: N-[3-(tert-butylcarbamothioylamino)phenyl]octanamide Traditional Name: N-[3-(tert-butylthiocarbamoylamino)phenyl]caprylamide Formula: C19H31N3OS MolecularWeight: 349.53394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H31N3OS/c1-5-6-7-8-9-13-17(23)20-15-11-10-12-16(14-15)21-18(24)22-19(2,3)4/h10-12,14H,5-9,13H2,1-4H3,(H,20,23)(H2,21,22,24)