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

Systemtic Name: methyl 5-ethyl-2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-ethyl-2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-ethyl-2-[[[4-(ethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-ethyl-2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-ethyl-2-[[4-(ethylsulfamoyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C17H21N3O4S3 MolecularWeight: 427.56134

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC)C(=O)OC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=S)NC2=CC=C(C=C2)S(=O)(=O)NCC)C(=O)OC

InChI

InChI=1S/C17H21N3O4S3/c1-4-12-10-14(16(21)24-3)15(26-12)20-17(25)19-11-6-8-13(9-7-11)27(22,23)18-5-2/h6-10,18H,4-5H2,1-3H3,(H2,19,20,25)