5-bromanyl-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2-methoxy-benzamide

Systemtic Name: 5-bromanyl-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2-methoxy-benzamide Openeye Name: 5-bromo-N-[[4-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-2-methoxy-benzamide CAS Name: 5-bromo-N-[[4-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-2-methoxybenzamide IUPAC Name: 5-bromo-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2-methoxybenzamide Traditional Name: 5-bromo-2-methoxy-N-[[4-(5-methylol-2-furyl)phenyl]thiocarbamoyl]benzamide Formula: C20H17BrN2O4S MolecularWeight: 461.32898

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO

InChI

InChI=1S/C20H17BrN2O4S/c1-26-18-8-4-13(21)10-16(18)19(25)23-20(28)22-14-5-2-12(3-6-14)17-9-7-15(11-24)27-17/h2-10,24H,11H2,1H3,(H2,22,23,25,28)