methyl 3-ethyl-4-methyl-6-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 3-ethyl-4-methyl-6-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3-ethyl-4-methyl-6-[3-(p-tolylsulfonylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-ethyl-4-methyl-6-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-ethyl-4-methyl-6-[3-[(4-methylphenyl)sulfonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3-ethyl-4-methyl-2-thioxo-6-[3-(tosylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C)C(=O)OC)C

InChI

InChI=1S/C22H25N3O4S2/c1-5-25-15(3)19(21(26)29-4)20(23-22(25)30)16-7-6-8-17(13-16)24-31(27,28)18-11-9-14(2)10-12-18/h6-13,20,24H,5H2,1-4H3,(H,23,30)