5-bromanyl-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[2-(2-furylmethylcarbamoyl)phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[2-[(2-furanylmethylamino)-oxomethyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[2-(furan-2-ylmethylcarbamoyl)phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-N-[[2-(2-furfurylcarbamoyl)phenyl]thiocarbamoyl]-2-methoxy-benzamide Formula: C21H18BrN3O4S MolecularWeight: 488.35432

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=CC=C2C(=O)NCC3=CC=CO3

InChI

InChI=1S/C21H18BrN3O4S/c1-28-18-9-8-13(22)11-16(18)20(27)25-21(30)24-17-7-3-2-6-15(17)19(26)23-12-14-5-4-10-29-14/h2-11H,12H2,1H3,(H,23,26)(H2,24,25,27,30)