propyl 4-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)benzoate

Systemtic Name: propyl 4-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)benzoate Openeye Name: propyl 4-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(piazthiole-5-carbonylthiocarbamoylamino)benzoic acid propyl ester Formula: C18H16N4O3S2 MolecularWeight: 400.47464

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=S)NC(=O)C2=CC3=NSN=C3C=C2

InChI

InChI=1S/C18H16N4O3S2/c1-2-9-25-17(24)11-3-6-13(7-4-11)19-18(26)20-16(23)12-5-8-14-15(10-12)22-27-21-14/h3-8,10H,2,9H2,1H3,(H2,19,20,23,26)