3-bromanyl-N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methoxy-benzamide

Systemtic Name: 3-bromanyl-N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methoxy-benzamide Openeye Name: 3-bromo-N-[[3-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-4-methoxy-benzamide CAS Name: 3-bromo-N-[[3-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-4-methoxybenzamide IUPAC Name: 3-bromo-N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-methoxybenzamide Traditional Name: 3-bromo-4-methoxy-N-[[3-(5-methylol-2-furyl)phenyl]thiocarbamoyl]benzamide Formula: C20H17BrN2O4S MolecularWeight: 461.32898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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