N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]hexanamide

Systemtic Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]hexanamide Openeye Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]hexanamide CAS Name: N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]hexanamide Traditional Name: N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]hexanamide Formula: C18H27N3O2S MolecularWeight: 349.49088

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27N3O2S/c1-4-5-6-7-16(22)21-18(24)20-15-10-8-14(9-11-15)19-17(23)12-13(2)3/h8-11,13H,4-7,12H2,1-3H3,(H,19,23)(H2,20,21,22,24)