methyl 5-(diethylcarbamoyl)-2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-4-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 5-(diethylcarbamoyl)-2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-4-methyl-thiophene-3-carboxylate Openeye Name: methyl 5-(diethylcarbamoyl)-2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-[diethylamino(oxo)methyl]-2-[[[4-(ethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-4-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-(diethylcarbamoyl)-2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-(diethylcarbamoyl)-2-[[4-(ethylsulfamoyl)phenyl]thiocarbamoylamino]-4-methyl-thiophene-3-carboxylic acid methyl ester Formula: C21H28N4O5S3 MolecularWeight: 512.66582

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Descriptors Computed from Structure

Canonical SMILES:

CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C(=C(S2)C(=O)N(CC)CC)C)C(=O)OC

InChI

InChI=1S/C21H28N4O5S3/c1-6-22-33(28,29)15-11-9-14(10-12-15)23-21(31)24-18-16(20(27)30-5)13(4)17(32-18)19(26)25(7-2)8-3/h9-12,22H,6-8H2,1-5H3,(H2,23,24,31)