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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO)Br

InChI

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