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

Systemtic Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-[(3-methyl-1-oxobutyl)amino]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(3-methylbutanoylamino)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[4-(isovalerylamino)phenyl]thiocarbamoyl]valeramide Formula: C17H25N3O2S MolecularWeight: 335.4643

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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