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

Systemtic Name: N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,4-dimethoxy-benzamide Openeye Name: N-[[3-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-3,4-dimethoxy-benzamide CAS Name: N-[[3-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-3,4-dimethoxybenzamide IUPAC Name: N-[[3-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-3,4-dimethoxybenzamide Traditional Name: 3,4-dimethoxy-N-[[3-(5-methylol-2-furyl)phenyl]thiocarbamoyl]benzamide Formula: C21H20N2O5S MolecularWeight: 412.4589

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O5S/c1-26-18-8-6-14(11-19(18)27-2)20(25)23-21(29)22-15-5-3-4-13(10-15)17-9-7-16(12-24)28-17/h3-11,24H,12H2,1-2H3,(H2,22,23,25,29)