N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-2-(2-methylphenyl)ethanamide

Systemtic Name: N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-2-(2-methylphenyl)ethanamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-2-(o-tolyl)acetamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(2-methylphenyl)acetamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-2-(2-methylphenyl)acetamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-2-(o-tolyl)acetamide Formula: C18H18BrN3O2S MolecularWeight: 420.32342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=CC=C2C)Br

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NNC(=S)NC(=O)CC2=CC=CC=C2C)Br

InChI

InChI=1S/C18H18BrN3O2S/c1-11-5-3-4-6-13(11)10-16(23)20-18(25)22-21-17(24)14-8-7-12(2)15(19)9-14/h3-9H,10H2,1-2H3,(H,21,24)(H2,20,22,23,25)