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

Systemtic Name: methyl 3-chloranyl-6-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-[(6-methoxy-4-pyrimidinyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-[(6-methoxypyrimidin-4-yl)sulfamoyl]phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H18ClN5O5S3 MolecularWeight: 564.05682

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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

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

InChI

InChI=1S/C22H18ClN5O5S3/c1-32-18-10-17(24-11-25-18)28-36(30,31)14-6-3-12(4-7-14)26-22(34)27-13-5-8-15-16(9-13)35-20(19(15)23)21(29)33-2/h3-11H,1-2H3,(H,24,25,28)(H2,26,27,34)