methyl 3-chloranyl-6-[[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-chloranyl-6-[[4-[(6-chloranylpyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(6-chloro-3-pyridazinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-[(6-chloropyridazin-3-yl)sulfamoyl]phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C21H15Cl2N5O4S3 MolecularWeight: 568.4759

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NN=C(C=C4)Cl)Cl

Isomeric SMILES

COC(=O)C1=C(C2=C(S1)C=C(C=C2)NC(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NN=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H15Cl2N5O4S3/c1-32-20(29)19-18(23)14-7-4-12(10-15(14)34-19)25-21(33)24-11-2-5-13(6-3-11)35(30,31)28-17-9-8-16(22)26-27-17/h2-10H,1H3,(H,27,28)(H2,24,25,33)