5-bromanyl-N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide

Systemtic Name: 5-bromanyl-N-[[[4-[(3-methylphenyl)carbonylamino]phenyl]carbonylamino]carbamothioyl]furan-2-carboxamide Openeye Name: 5-bromo-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]furan-2-carboxamide CAS Name: 5-bromo-N-[[[[4-[[(3-methylphenyl)-oxomethyl]amino]phenyl]-oxomethyl]hydrazo]-sulfanylidenemethyl]-2-furancarboxamide IUPAC Name: 5-bromo-N-[[[4-[(3-methylbenzoyl)amino]benzoyl]amino]carbamothioyl]furan-2-carboxamide Traditional Name: 5-bromo-N-[[[4-(m-toluoylamino)benzoyl]amino]thiocarbamoyl]-2-furamide Formula: C21H17BrN4O4S MolecularWeight: 501.35308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC2=CC=C(C=C2)C(=O)NNC(=S)NC(=O)C3=CC=C(O3)Br

InChI

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