N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]hexanamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[3-(isobutyrylamino)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(=C1)NC(=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-4-5-6-10-15(21)20-17(23)19-14-9-7-8-13(11-14)18-16(22)12(2)3/h7-9,11-12H,4-6,10H2,1-3H3,(H,18,22)(H2,19,20,21,23)