N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-3-methyl-butanamide

Systemtic Name: N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-3-methyl-butanamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-3-methyl-butanamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-3-methylbutanamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-3-methylbutanamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-3-methyl-butyramide Formula: C14H18BrN3O2S MolecularWeight: 372.28062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CC(C)C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CC(C)C)Br

InChI

InChI=1S/C14H18BrN3O2S/c1-8(2)6-12(19)16-14(21)18-17-13(20)10-5-4-9(3)11(15)7-10/h4-5,7-8H,6H2,1-3H3,(H,17,20)(H2,16,18,19,21)