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

Systemtic Name: methyl 2-[[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]-4,5-dimethyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(6-chloro-3-pyridazinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4,5-dimethyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]-4,5-dimethylthiophene-3-carboxylate Traditional Name: 2-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]thiocarbamoylamino]-4,5-dimethyl-thiophene-3-carboxylic acid methyl ester Formula: C19H18ClN5O4S3 MolecularWeight: 512.02532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)Cl)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NC3=NN=C(C=C3)Cl)C

InChI

InChI=1S/C19H18ClN5O4S3/c1-10-11(2)31-17(16(10)18(26)29-3)22-19(30)21-12-4-6-13(7-5-12)32(27,28)25-15-9-8-14(20)23-24-15/h4-9H,1-3H3,(H,24,25)(H2,21,22,30)