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

Systemtic Name: methyl 3-chloranyl-6-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(2,6-dimethoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-[(2,6-dimethoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C23H20ClN5O6S3 MolecularWeight: 594.0828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)OC

Isomeric SMILES

COC1=NC(=NC(=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=CC4=C(C=C3)C(=C(S4)C(=O)OC)Cl)OC

InChI

InChI=1S/C23H20ClN5O6S3/c1-33-18-11-17(27-22(28-18)35-3)29-38(31,32)14-7-4-12(5-8-14)25-23(36)26-13-6-9-15-16(10-13)37-20(19(15)24)21(30)34-2/h4-11H,1-3H3,(H2,25,26,36)(H,27,28,29)