N-[[4-(butanoylamino)phenyl]carbamothioyl]pentanamide

Systemtic Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]pentanamide Openeye Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]pentanamide CAS Name: N-[[4-(1-oxobutylamino)anilino]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[4-(butanoylamino)phenyl]carbamothioyl]pentanamide Traditional Name: N-[(4-butyramidophenyl)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)NC(=O)CCC

Isomeric SMILES

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

InChI

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