methyl 2-[[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(6-chloro-3-pyridazinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C23H18ClN5O4S3 MolecularWeight: 560.06812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NN=C(C=C4)Cl

Isomeric SMILES

COC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NN=C(C=C4)Cl

InChI

InChI=1S/C23H18ClN5O4S3/c1-33-22(30)17-13-18(14-5-3-2-4-6-14)35-21(17)26-23(34)25-15-7-9-16(10-8-15)36(31,32)29-20-12-11-19(24)27-28-20/h2-13H,1H3,(H,28,29)(H2,25,26,34)