5-bromanyl-N-[[(3-methylphenyl)carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[(3-methylphenyl)carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[(3-methylbenzoyl)amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[(3-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[(3-methylbenzoyl)amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-N-[(m-toluoylamino)thiocarbamoyl]-2-phenethyloxy-benzamide Formula: C24H22BrN3O3S MolecularWeight: 512.41878

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NNC(=S)NC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

InChI=1S/C24H22BrN3O3S/c1-16-6-5-9-18(14-16)22(29)27-28-24(32)26-23(30)20-15-19(25)10-11-21(20)31-13-12-17-7-3-2-4-8-17/h2-11,14-15H,12-13H2,1H3,(H,27,29)(H2,26,28,30,32)