ethyl 5-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 5-[[5-(diethylsulfamoyl)-2-methyl-phenyl]carbamothioylamino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[[5-(diethylsulfamoyl)-2-methylanilino]-sulfanylidenemethyl]amino]-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[5-(diethylsulfamoyl)-2-methylphenyl]carbamothioylamino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[5-(diethylsulfamoyl)-2-methyl-phenyl]thiocarbamoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C20H27N3O4S3 MolecularWeight: 469.64108

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NC2=CC(=C(S2)C(=O)OCC)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=S)NC2=CC(=C(S2)C(=O)OCC)C

InChI

InChI=1S/C20H27N3O4S3/c1-6-23(7-2)30(25,26)15-10-9-13(4)16(12-15)21-20(28)22-17-11-14(5)18(29-17)19(24)27-8-3/h9-12H,6-8H2,1-5H3,(H2,21,22,28)