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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC(=S)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC

InChI

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