dimethyl 3-methyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 3-methyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 3-methyl-5-[[4-(p-tolylsulfonylamino)phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[[4-[(4-methylphenyl)sulfonylamino]anilino]-sulfanylidenemethyl]amino]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 3-methyl-5-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-2,4-dicarboxylate Traditional Name: 3-methyl-5-[[4-(tosylamino)phenyl]thiocarbamoylamino]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C23H23N3O6S3 MolecularWeight: 533.64022

Click to see the large picture

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)C(=O)OC)C)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)C(=O)OC)C)C(=O)OC

InChI

InChI=1S/C23H23N3O6S3/c1-13-5-11-17(12-6-13)35(29,30)26-16-9-7-15(8-10-16)24-23(33)25-20-18(21(27)31-3)14(2)19(34-20)22(28)32-4/h5-12,26H,1-4H3,(H2,24,25,33)