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

Systemtic Name: 2-chloranyl-N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxy-phenyl]carbamothioyl]-5-iodanyl-benzamide Openeye Name: 2-chloro-N-[[4-[5-(hydroxymethyl)-2-furyl]-3-methoxy-phenyl]carbamothioyl]-5-iodo-benzamide CAS Name: 2-chloro-N-[[4-[5-(hydroxymethyl)-2-furanyl]-3-methoxyanilino]-sulfanylidenemethyl]-5-iodobenzamide IUPAC Name: 2-chloro-N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-5-iodobenzamide Traditional Name: 2-chloro-5-iodo-N-[[3-methoxy-4-(5-methylol-2-furyl)phenyl]thiocarbamoyl]benzamide Formula: C20H16ClIN2O4S MolecularWeight: 542.77451

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)C3=CC=C(O3)CO

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=C(C=CC(=C2)I)Cl)C3=CC=C(O3)CO

InChI

InChI=1S/C20H16ClIN2O4S/c1-27-18-9-12(3-5-14(18)17-7-4-13(10-25)28-17)23-20(29)24-19(26)15-8-11(22)2-6-16(15)21/h2-9,25H,10H2,1H3,(H2,23,24,26,29)