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

Systemtic Name: methyl 3-chloranyl-6-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-chloro-6-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]benzothiophene-2-carboxylate CAS Name: 3-chloro-6-[[[4-(ethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-chloro-6-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-chloro-6-[[4-(ethylsulfamoyl)phenyl]thiocarbamoylamino]benzothiophene-2-carboxylic acid methyl ester Formula: C19H18ClN3O4S3 MolecularWeight: 484.01192

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=CC3=C(C=C2)C(=C(S3)C(=O)OC)Cl

InChI

InChI=1S/C19H18ClN3O4S3/c1-3-21-30(25,26)13-7-4-11(5-8-13)22-19(28)23-12-6-9-14-15(10-12)29-17(16(14)20)18(24)27-2/h4-10,21H,3H2,1-2H3,(H2,22,23,28)