(E)-N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxy-phenyl]carbamothioyl]-3-phenyl-prop-2-enamide

Systemtic Name: (E)-N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxy-phenyl]carbamothioyl]-3-phenyl-prop-2-enamide Openeye Name: (E)-N-[[5-[5-(hydroxymethyl)-2-furyl]-2-methoxy-phenyl]carbamothioyl]-3-phenyl-prop-2-enamide CAS Name: (E)-N-[[5-[5-(hydroxymethyl)-2-furanyl]-2-methoxyanilino]-sulfanylidenemethyl]-3-phenyl-2-propenamide IUPAC Name: (E)-N-[[5-[5-(hydroxymethyl)furan-2-yl]-2-methoxyphenyl]carbamothioyl]-3-phenylprop-2-enamide Traditional Name: (E)-N-[[2-methoxy-5-(5-methylol-2-furyl)phenyl]thiocarbamoyl]-3-phenyl-acrylamide Formula: C22H20N2O4S MolecularWeight: 408.4702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=S)NC(=O)C=CC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=C(C=C1)C2=CC=C(O2)CO)NC(=S)NC(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C22H20N2O4S/c1-27-20-10-8-16(19-11-9-17(14-25)28-19)13-18(20)23-22(29)24-21(26)12-7-15-5-3-2-4-6-15/h2-13,25H,14H2,1H3,(H2,23,24,26,29)/b12-7+