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

Systemtic Name: N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-2-(3-methylphenoxy)ethanamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-2-(3-methylphenoxy)acetamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-(3-methylphenoxy)acetamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-2-(3-methylphenoxy)acetamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-2-(3-methylphenoxy)acetamide Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)C)Br

Isomeric SMILES

CC1=CC(=CC=C1)OCC(=O)NC(=S)NNC(=O)C2=CC(=C(C=C2)C)Br

InChI

InChI=1S/C18H18BrN3O3S/c1-11-4-3-5-14(8-11)25-10-16(23)20-18(26)22-21-17(24)13-7-6-12(2)15(19)9-13/h3-9H,10H2,1-2H3,(H,21,24)(H2,20,22,23,26)