ethyl 5-[[4-(dipropylsulfamoyl)phenyl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate

Systemtic Name: ethyl 5-[[4-(dipropylsulfamoyl)phenyl]carbonylamino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate Openeye Name: ethyl 5-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylate CAS Name: 5-[[[4-(dipropylsulfamoyl)phenyl]-oxomethyl]amino]-3-methyl-4-thiocyanato-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-methyl-4-thiocyanatothiophene-2-carboxylate Traditional Name: 5-[[4-(dipropylsulfamoyl)benzoyl]amino]-3-methyl-4-thiocyanato-thiophene-2-carboxylic acid ethyl ester Formula: C22H27N3O5S3 MolecularWeight: 509.66188

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)SC#N

Isomeric SMILES

CCCN(CCC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NC2=C(C(=C(S2)C(=O)OCC)C)SC#N

InChI

InChI=1S/C22H27N3O5S3/c1-5-12-25(13-6-2)33(28,29)17-10-8-16(9-11-17)20(26)24-21-18(31-14-23)15(4)19(32-21)22(27)30-7-3/h8-11H,5-7,12-13H2,1-4H3,(H,24,26)