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

Systemtic Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]hexanamide Traditional Name: N-[(4-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(=C(C=C1)C)NC(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-4-6-7-8-16(22)20-17(23)18-13-10-9-12(3)14(11-13)19-15(21)5-2/h9-11H,4-8H2,1-3H3,(H,19,21)(H2,18,20,22,23)