5-bromanyl-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[[4-[(2-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[[4-[[(2-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[[4-[(2-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[[4-(o-toluoylamino)benzoyl]amino]thiocarbamoyl]-2-furamide Formula: C21H17BrN4O4S MolecularWeight: 501.35308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H17BrN4O4S/c1-12-4-2-3-5-15(12)19(28)23-14-8-6-13(7-9-14)18(27)25-26-21(31)24-20(29)16-10-11-17(22)30-16/h2-11H,1H3,(H,23,28)(H,25,27)(H2,24,26,29,31)