ethyl 4-[[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate

Systemtic Name: ethyl 4-[[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate Openeye Name: ethyl 4-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate CAS Name: 4-[[[4-[(6-chloro-3-pyridazinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]benzoate Traditional Name: 4-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]thiocarbamoylamino]benzoic acid ethyl ester Formula: C20H18ClN5O4S2 MolecularWeight: 491.97102

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN5O4S2/c1-2-30-19(27)13-3-5-14(6-4-13)22-20(31)23-15-7-9-16(10-8-15)32(28,29)26-18-12-11-17(21)24-25-18/h3-12H,2H2,1H3,(H,25,26)(H2,22,23,31)