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

Systemtic Name: methyl 2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]-5-(phenylmethyl)thiophene-3-carboxylate Openeye Name: methyl 5-benzyl-2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 2-[[[4-(ethylsulfamoyl)anilino]-sulfanylidenemethyl]amino]-5-(phenylmethyl)-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-benzyl-2-[[4-(ethylsulfamoyl)phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-benzyl-2-[[4-(ethylsulfamoyl)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H23N3O4S3 MolecularWeight: 489.63072

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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)CC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CCNS(=O)(=O)C1=CC=C(C=C1)NC(=S)NC2=C(C=C(S2)CC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C22H23N3O4S3/c1-3-23-32(27,28)18-11-9-16(10-12-18)24-22(30)25-20-19(21(26)29-2)14-17(31-20)13-15-7-5-4-6-8-15/h4-12,14,23H,3,13H2,1-2H3,(H2,24,25,30)