N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]octanamide

Systemtic Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]octanamide Openeye Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]octanamide CAS Name: N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]octanamide IUPAC Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]octanamide Traditional Name: N-[(4-methyl-3-propionamido-phenyl)thiocarbamoyl]caprylamide Formula: C19H29N3O2S MolecularWeight: 363.51746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O2S/c1-4-6-7-8-9-10-18(24)22-19(25)20-15-12-11-14(3)16(13-15)21-17(23)5-2/h11-13H,4-10H2,1-3H3,(H,21,23)(H2,20,22,24,25)