N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxy-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide

Systemtic Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxy-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-[5-(hydroxymethyl)-2-furyl]-3-methoxy-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-[5-(hydroxymethyl)-2-furanyl]-3-methoxyanilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-[5-(hydroxymethyl)furan-2-yl]-3-methoxyphenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[3-methoxy-4-(5-methylol-2-furyl)phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C20H16N4O4S2 MolecularWeight: 440.49544

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)C4=CC=C(O4)CO

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)C4=CC=C(O4)CO

InChI

InChI=1S/C20H16N4O4S2/c1-27-18-9-12(3-5-14(18)17-7-4-13(10-25)28-17)21-20(29)22-19(26)11-2-6-15-16(8-11)24-30-23-15/h2-9,25H,10H2,1H3,(H2,21,22,26,29)