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

Systemtic Name: N-[[(3-bromanyl-4-methyl-phenyl)carbonylamino]carbamothioyl]-4-phenyl-benzamide Openeye Name: N-[[(3-bromo-4-methyl-benzoyl)amino]carbamothioyl]-4-phenyl-benzamide CAS Name: N-[[[(3-bromo-4-methylphenyl)-oxomethyl]hydrazo]-sulfanylidenemethyl]-4-phenylbenzamide IUPAC Name: N-[[(3-bromo-4-methylbenzoyl)amino]carbamothioyl]-4-phenylbenzamide Traditional Name: N-[[(3-bromo-4-methyl-benzoyl)amino]thiocarbamoyl]-4-phenyl-benzamide Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18BrN3O2S/c1-14-7-8-18(13-19(14)23)21(28)25-26-22(29)24-20(27)17-11-9-16(10-12-17)15-5-3-2-4-6-15/h2-13H,1H3,(H,25,28)(H2,24,26,27,29)