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

Systemtic Name: methyl 5-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-(o-tolylsulfamoyl)phenyl]carbamothioylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-[(2-methylphenyl)sulfamoyl]anilino]-sulfanylidenemethyl]amino]-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-[(2-methylphenyl)sulfamoyl]phenyl]carbamothioylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(o-tolylsulfamoyl)phenyl]thiocarbamoylamino]-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C27H25N3O4S3 MolecularWeight: 551.7001

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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)C)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)C)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C27H25N3O4S3/c1-17-9-7-8-12-22(17)30-37(32,33)21-15-13-20(14-16-21)28-27(35)29-25-24(26(31)34-3)23(18(2)36-25)19-10-5-4-6-11-19/h4-16,30H,1-3H3,(H2,28,29,35)