N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-methyl-3-(1-oxopropylamino)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-methyl-3-(propanoylamino)phenyl]carbamothioyl]pentanamide Traditional Name: N-[(4-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(=C(C=C1)C)NC(=O)CC

Isomeric SMILES

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

InChI

InChI=1S/C16H23N3O2S/c1-4-6-7-15(21)19-16(22)17-12-9-8-11(3)13(10-12)18-14(20)5-2/h8-10H,4-7H2,1-3H3,(H,18,20)(H2,17,19,21,22)