5-bromanyl-N-[[(4-methylphenyl)carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide

Systemtic Name: 5-bromanyl-N-[[(4-methylphenyl)carbonylamino]carbamothioyl]-2-phenethyloxy-benzamide Openeye Name: 5-bromo-N-[[(4-methylbenzoyl)amino]carbamothioyl]-2-phenethyloxy-benzamide CAS Name: 5-bromo-N-[[[(4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-phenethyloxybenzamide IUPAC Name: 5-bromo-N-[[(4-methylbenzoyl)amino]carbamothioyl]-2-phenethyloxybenzamide Traditional Name: 5-bromo-2-phenethyloxy-N-[(p-toluoylamino)thiocarbamoyl]benzamide Formula: C24H22BrN3O3S MolecularWeight: 512.41878

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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