N-[(3-bromanyl-4-methoxy-phenyl)carbamothioyl]pentanamide

Systemtic Name: N-[(3-bromanyl-4-methoxy-phenyl)carbamothioyl]pentanamide Openeye Name: N-[(3-bromo-4-methoxy-phenyl)carbamothioyl]pentanamide CAS Name: N-[(3-bromo-4-methoxyanilino)-sulfanylidenemethyl]pentanamide IUPAC Name: N-[(3-bromo-4-methoxyphenyl)carbamothioyl]pentanamide Traditional Name: N-[(3-bromo-4-methoxy-phenyl)thiocarbamoyl]valeramide Formula: C13H17BrN2O2S MolecularWeight: 345.25528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17BrN2O2S/c1-3-4-5-12(17)16-13(19)15-9-6-7-11(18-2)10(14)8-9/h6-8H,3-5H2,1-2H3,(H2,15,16,17,19)