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

Systemtic Name: 5-bromanyl-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: 5-bromo-N-[[4-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: 5-bromo-N-[[4-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: 5-bromo-N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 5-bromo-2-methoxy-3-methyl-N-[[4-(5-methylol-2-furyl)phenyl]thiocarbamoyl]benzamide Formula: C21H19BrN2O4S MolecularWeight: 475.35556

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19BrN2O4S/c1-12-9-14(22)10-17(19(12)27-2)20(26)24-21(29)23-15-5-3-13(4-6-15)18-8-7-16(11-25)28-18/h3-10,25H,11H2,1-2H3,(H2,23,24,26,29)