N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]octanamide Openeye Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]octanamide CAS Name: N-[[3-[(2,2-dimethyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[3-(2,2-dimethylpropanoylamino)phenyl]carbamothioyl]octanamide Traditional Name: N-[[3-(pivaloylamino)phenyl]thiocarbamoyl]caprylamide Formula: C20H31N3O2S MolecularWeight: 377.54404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O2S/c1-5-6-7-8-9-13-17(24)23-19(26)22-16-12-10-11-15(14-16)21-18(25)20(2,3)4/h10-12,14H,5-9,13H2,1-4H3,(H,21,25)(H2,22,23,24,26)