ethyl 5-[[3-(dimethylsulfamoyl)phenyl]carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[3-(dimethylsulfamoyl)phenyl]carbonylcarbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[3-(dimethylsulfamoyl)benzoyl]carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[[[3-(dimethylsulfamoyl)phenyl]-oxomethyl]amino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-(dimethylsulfamoyl)benzoyl]carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[3-(dimethylsulfamoyl)benzoyl]thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C18H21N3O5S3 MolecularWeight: 455.57144

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C)C

Isomeric SMILES

CCOC(=O)C1=C(C=C(S1)NC(=S)NC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C)C

InChI

InChI=1S/C18H21N3O5S3/c1-5-26-17(23)15-11(2)9-14(28-15)19-18(27)20-16(22)12-7-6-8-13(10-12)29(24,25)21(3)4/h6-10H,5H2,1-4H3,(H2,19,20,22,27)