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

Systemtic Name: methyl 3,4-dimethyl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 3,4-dimethyl-6-[4-(p-tolylsulfonylamino)phenyl]-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3,4-dimethyl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 3,4-dimethyl-6-[4-[(4-methylphenyl)sulfonylamino]phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 3,4-dimethyl-2-thioxo-6-[4-(tosylamino)phenyl]-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H23N3O4S2 MolecularWeight: 445.55502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3C(=C(N(C(=S)N3)C)C)C(=O)OC

InChI

InChI=1S/C21H23N3O4S2/c1-13-5-11-17(12-6-13)30(26,27)23-16-9-7-15(8-10-16)19-18(20(25)28-4)14(2)24(3)21(29)22-19/h5-12,19,23H,1-4H3,(H,22,29)