methyl 4-[[(4-methylphenyl)-(4-methylphenyl)sulfonyl-carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate

Systemtic Name: methyl 4-[[(4-methylphenyl)-(4-methylphenyl)sulfonyl-carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate Openeye Name: methyl 4-[[p-tolyl(p-tolylsulfonyl)carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate CAS Name: 4-[[[[(4-methyl-N-(4-methylphenyl)sulfonylanilino)-oxomethyl]amino]-oxomethyl]amino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[[(4-methylphenyl)-(4-methylphenyl)sulfonylcarbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylate Traditional Name: 4-[[p-tolyl(tosyl)carbamoyl]carbamoylamino]-2,3-dihydrothiophene-5-carboxylic acid methyl ester Formula: C22H23N3O6S2 MolecularWeight: 489.56452

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N(C(=O)NC(=O)NC2=C(SCC2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)N(C(=O)NC(=O)NC2=C(SCC2)C(=O)OC)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H23N3O6S2/c1-14-4-8-16(9-5-14)25(33(29,30)17-10-6-15(2)7-11-17)22(28)24-21(27)23-18-12-13-32-19(18)20(26)31-3/h4-11H,12-13H2,1-3H3,(H2,23,24,27,28)