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

Systemtic Name: N-[[(3-bromanyl-4-methoxy-phenyl)carbonylamino]carbamothioyl]pentanamide Openeye Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]carbamothioyl]pentanamide CAS Name: N-[[[(3-bromo-4-methoxyphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[(3-bromo-4-methoxybenzoyl)amino]carbamothioyl]pentanamide Traditional Name: N-[[(3-bromo-4-methoxy-benzoyl)amino]thiocarbamoyl]valeramide Formula: C14H18BrN3O3S MolecularWeight: 388.28002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18BrN3O3S/c1-3-4-5-12(19)16-14(22)18-17-13(20)9-6-7-11(21-2)10(15)8-9/h6-8H,3-5H2,1-2H3,(H,17,20)(H2,16,18,19,22)