methyl 2-[[4-[(2-methylphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[[4-[(2-methylphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[[4-(o-tolylsulfamoyl)phenyl]carbamothioylamino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[[4-[(2-methylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-5-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[4-[(2-methylphenyl)sulfamoyl]phenyl]carbamothioylamino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[[4-(o-tolylsulfamoyl)phenyl]thiocarbamoylamino]-5-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C26H23N3O4S3 MolecularWeight: 537.67352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1NS(=O)(=O)C2=CC=C(C=C2)NC(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C26H23N3O4S3/c1-17-8-6-7-11-22(17)29-36(31,32)20-14-12-19(13-15-20)27-26(34)28-24-21(25(30)33-2)16-23(35-24)18-9-4-3-5-10-18/h3-16,29H,1-2H3,(H2,27,28,34)