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

Systemtic Name: ethyl 2-[[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(6-chloro-3-pyridazinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]thiocarbamoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C25H22ClN5O4S3 MolecularWeight: 588.12128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NN=C(C=C4)Cl

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NN=C(C=C4)Cl

InChI

InChI=1S/C25H22ClN5O4S3/c1-3-35-24(32)22-21(16-7-5-4-6-8-16)15(2)37-23(22)28-25(36)27-17-9-11-18(12-10-17)38(33,34)31-20-14-13-19(26)29-30-20/h4-14H,3H2,1-2H3,(H,30,31)(H2,27,28,36)