N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]pentanamide CAS Name: N-[[2-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[2-methyl-3-(propanoylamino)phenyl]carbamothioyl]pentanamide Traditional Name: N-[(2-methyl-3-propionamido-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(=C1C)NC(=O)CC

Isomeric SMILES

CCCCC(=O)NC(=S)NC1=CC=CC(=C1C)NC(=O)CC

InChI

InChI=1S/C16H23N3O2S/c1-4-6-10-15(21)19-16(22)18-13-9-7-8-12(11(13)3)17-14(20)5-2/h7-9H,4-6,10H2,1-3H3,(H,17,20)(H2,18,19,21,22)