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

Systemtic Name: N-[[4-(furan-2-ylcarbonylamino)-3-methoxy-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Openeye Name: N-[[4-(furan-2-carbonylamino)-3-methoxy-phenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide CAS Name: N-[[4-[[2-furanyl(oxo)methyl]amino]-3-methoxyanilino]-sulfanylidenemethyl]-2,1,3-benzothiadiazole-5-carboxamide IUPAC Name: N-[[4-(furan-2-carbonylamino)-3-methoxyphenyl]carbamothioyl]-2,1,3-benzothiadiazole-5-carboxamide Traditional Name: N-[[4-(2-furoylamino)-3-methoxy-phenyl]thiocarbamoyl]piazthiole-5-carboxamide Formula: C20H15N5O4S2 MolecularWeight: 453.4942

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)NC(=O)C4=CC=CO4

Isomeric SMILES

COC1=C(C=CC(=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2)NC(=O)C4=CC=CO4

InChI

InChI=1S/C20H15N5O4S2/c1-28-17-10-12(5-7-14(17)22-19(27)16-3-2-8-29-16)21-20(30)23-18(26)11-4-6-13-15(9-11)25-31-24-13/h2-10H,1H3,(H,22,27)(H2,21,23,26,30)