4-methyl-N-[5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-6-yl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-6-yl]benzenesulfonamide Openeye Name: N-[5-[(4-isobutoxyphenyl)methyl]-2-thioxo-1H-pyrimidin-6-yl]-4-methyl-benzenesulfonamide CAS Name: 4-methyl-N-[5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-6-yl]benzenesulfonamide IUPAC Name: 4-methyl-N-[5-[[4-(2-methylpropoxy)phenyl]methyl]-2-sulfanylidene-1H-pyrimidin-6-yl]benzenesulfonamide Traditional Name: N-[5-(4-isobutoxybenzyl)-2-thioxo-1H-pyrimidin-6-yl]-4-methyl-benzenesulfonamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=NC(=S)N2)CC3=CC=C(C=C3)OCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=C(C=NC(=S)N2)CC3=CC=C(C=C3)OCC(C)C

InChI

InChI=1S/C22H25N3O3S2/c1-15(2)14-28-19-8-6-17(7-9-19)12-18-13-23-22(29)24-21(18)25-30(26,27)20-10-4-16(3)5-11-20/h4-11,13,15H,12,14H2,1-3H3,(H2,23,24,25,29)