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

Systemtic Name: propan-2-yl 3,4-dimethyl-6-[3-(phenylsulfonylamino)phenyl]-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isopropyl 6-[3-(benzenesulfonamido)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-(benzenesulfonamido)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 6-[3-(benzenesulfonamido)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(benzenesulfonamido)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isopropyl ester Formula: C22H25N3O4S2 MolecularWeight: 459.5816

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O4S2/c1-14(2)29-21(26)19-15(3)25(4)22(30)23-20(19)16-9-8-10-17(13-16)24-31(27,28)18-11-6-5-7-12-18/h5-14,20,24H,1-4H3,(H,23,30)