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

Systemtic Name: methyl 5-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-3-carboxylate Openeye Name: methyl 5-methyl-2-[[4-(p-tolylsulfonylamino)phenyl]carbamothioylamino]thiophene-3-carboxylate CAS Name: 5-methyl-2-[[[4-[(4-methylphenyl)sulfonylamino]anilino]-sulfanylidenemethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[4-[(4-methylphenyl)sulfonylamino]phenyl]carbamothioylamino]thiophene-3-carboxylate Traditional Name: 5-methyl-2-[[4-(tosylamino)phenyl]thiocarbamoylamino]thiophene-3-carboxylic acid methyl ester Formula: C21H21N3O4S3 MolecularWeight: 475.60414

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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(=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(=O)OC

InChI

InChI=1S/C21H21N3O4S3/c1-13-4-10-17(11-5-13)31(26,27)24-16-8-6-15(7-9-16)22-21(29)23-19-18(20(25)28-3)12-14(2)30-19/h4-12,24H,1-3H3,(H2,22,23,29)