N-[[(3-methylphenyl)carbonylamino]carbamothioyl]pentanamide

Systemtic Name: N-[[(3-methylphenyl)carbonylamino]carbamothioyl]pentanamide Openeye Name: N-[[(3-methylbenzoyl)amino]carbamothioyl]pentanamide CAS Name: N-[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[[(3-methylbenzoyl)amino]carbamothioyl]pentanamide Traditional Name: N-[(m-toluoylamino)thiocarbamoyl]valeramide Formula: C14H19N3O2S MolecularWeight: 293.38456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c1-3-4-8-12(18)15-14(20)17-16-13(19)11-7-5-6-10(2)9-11/h5-7,9H,3-4,8H2,1-2H3,(H,16,19)(H2,15,17,18,20)