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

Systemtic Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]hexanamide CAS Name: N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]hexanamide Traditional Name: N-[(2-methyl-3-propionamido-phenyl)thiocarbamoyl]hexanamide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-4-6-7-11-16(22)20-17(23)19-14-10-8-9-13(12(14)3)18-15(21)5-2/h8-10H,4-7,11H2,1-3H3,(H,18,21)(H2,19,20,22,23)