N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]octanamide

Systemtic Name: N-[[(4-hexoxyphenyl)carbonylamino]carbamothioyl]octanamide Openeye Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]octanamide CAS Name: N-[[[(4-hexoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[(4-hexoxybenzoyl)amino]carbamothioyl]octanamide Traditional Name: N-[[(4-hexoxybenzoyl)amino]thiocarbamoyl]caprylamide Formula: C22H35N3O3S MolecularWeight: 421.5966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H35N3O3S/c1-3-5-7-9-10-12-20(26)23-22(29)25-24-21(27)18-13-15-19(16-14-18)28-17-11-8-6-4-2/h13-16H,3-12,17H2,1-2H3,(H,24,27)(H2,23,25,26,29)