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

Systemtic Name: methyl 4,5-dimethyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 4,5-dimethyl-2-[[4-(p-tolylsulfonylamino)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 4,5-dimethyl-2-[[[4-[(4-methylphenyl)sulfonylamino]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4,5-dimethyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 4,5-dimethyl-2-[[4-(tosylamino)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C22H23N3O4S3 MolecularWeight: 489.63072

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

InChI

InChI=1S/C22H23N3O4S3/c1-13-5-11-18(12-6-13)32(27,28)25-17-9-7-16(8-10-17)23-22(30)24-20-19(21(26)29-4)14(2)15(3)31-20/h5-12,25H,1-4H3,(H2,23,24,30)