N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]octanamide

Systemtic Name: N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]octanamide Openeye Name: N-[[2-(2-naphthyloxy)propanoylamino]carbamothioyl]octanamide CAS Name: N-[[[2-(2-naphthalenyloxy)-1-oxopropyl]hydrazo]-sulfanylidenemethyl]octanamide IUPAC Name: N-[(2-naphthalen-2-yloxypropanoylamino)carbamothioyl]octanamide Traditional Name: N-[[2-(2-naphthoxy)propanoylamino]thiocarbamoyl]caprylamide Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NNC(=O)C(C)OC1=CC2=CC=CC=C2C=C1

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NNC(=O)C(C)OC1=CC2=CC=CC=C2C=C1

InChI

InChI=1S/C22H29N3O3S/c1-3-4-5-6-7-12-20(26)23-22(29)25-24-21(27)16(2)28-19-14-13-17-10-8-9-11-18(17)15-19/h8-11,13-16H,3-7,12H2,1-2H3,(H,24,27)(H2,23,25,26,29)