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

Systemtic Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]pentanamide CAS Name: N-[[3-[(2-methyl-1-oxopropyl)amino]anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[3-(2-methylpropanoylamino)phenyl]carbamothioyl]pentanamide Traditional Name: N-[[3-(isobutyrylamino)phenyl]thiocarbamoyl]valeramide Formula: C16H23N3O2S MolecularWeight: 321.43772

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-4-5-9-14(20)19-16(22)18-13-8-6-7-12(10-13)17-15(21)11(2)3/h6-8,10-11H,4-5,9H2,1-3H3,(H,17,21)(H2,18,19,20,22)