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

Systemtic Name: butyl 4-(2,1,3-benzothiadiazol-5-ylcarbonylcarbamothioylamino)benzoate Openeye Name: butyl 4-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)benzoate CAS Name: 4-[[[[2,1,3-benzothiadiazol-5-yl(oxo)methyl]amino]-sulfanylidenemethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 4-(2,1,3-benzothiadiazole-5-carbonylcarbamothioylamino)benzoate Traditional Name: 4-(piazthiole-5-carbonylthiocarbamoylamino)benzoic acid butyl ester Formula: C19H18N4O3S2 MolecularWeight: 414.50122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S2/c1-2-3-10-26-18(25)12-4-7-14(8-5-12)20-19(27)21-17(24)13-6-9-15-16(11-13)23-28-22-15/h4-9,11H,2-3,10H2,1H3,(H2,20,21,24,27)