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

Systemtic Name: methyl 3,4-dimethyl-6-[4-(phenylsulfonylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-[4-(benzenesulfonamido)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-(benzenesulfonamido)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-[4-(benzenesulfonamido)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(benzenesulfonamido)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H21N3O4S2 MolecularWeight: 431.52844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C20H21N3O4S2/c1-13-17(19(24)27-3)18(21-20(28)23(13)2)14-9-11-15(12-10-14)22-29(25,26)16-7-5-4-6-8-16/h4-12,18,22H,1-3H3,(H,21,28)