N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]octanamide Openeye Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]octanamide CAS Name: N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]octanamide Traditional Name: N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]caprylamide Formula: C19H29N3O2S MolecularWeight: 363.51746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1C)NC(=O)CC

Isomeric SMILES

CCCCCCCC(=O)NC(=S)NC1=CC=CC(=C1C)NC(=O)CC

InChI

InChI=1S/C19H29N3O2S/c1-4-6-7-8-9-13-18(24)22-19(25)21-16-12-10-11-15(14(16)3)20-17(23)5-2/h10-12H,4-9,13H2,1-3H3,(H,20,23)(H2,21,22,24,25)