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

Systemtic Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide Openeye Name: N-[[4-[5-(hydroxymethyl)-2-furyl]phenyl]carbamothioyl]-2-methoxy-3-methyl-benzamide CAS Name: N-[[4-[5-(hydroxymethyl)-2-furanyl]anilino]-sulfanylidenemethyl]-2-methoxy-3-methylbenzamide IUPAC Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]phenyl]carbamothioyl]-2-methoxy-3-methylbenzamide Traditional Name: 2-methoxy-3-methyl-N-[[4-(5-methylol-2-furyl)phenyl]thiocarbamoyl]benzamide Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO

Isomeric SMILES

CC1=CC=CC(=C1OC)C(=O)NC(=S)NC2=CC=C(C=C2)C3=CC=C(O3)CO

InChI

InChI=1S/C21H20N2O4S/c1-13-4-3-5-17(19(13)26-2)20(25)23-21(28)22-15-8-6-14(7-9-15)18-11-10-16(12-24)27-18/h3-11,24H,12H2,1-2H3,(H2,22,23,25,28)