N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-propoxy-benzamide

Systemtic Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-propoxy-benzamide Openeye Name: N-[[4-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-4-propoxy-benzamide CAS Name: N-[[4-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-4-propoxybenzamide IUPAC Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-4-propoxybenzamide Traditional Name: N-[[4-(5-methylol-2-furyl)phenyl]thiocarbamoyl]-4-propoxy-benzamide Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO

InChI

InChI=1S/C22H22N2O4S/c1-2-13-27-18-9-5-16(6-10-18)21(26)24-22(29)23-17-7-3-15(4-8-17)20-12-11-19(14-25)28-20/h3-12,25H,2,13-14H2,1H3,(H2,23,24,26,29)