3-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazino]methyl]-1,3-benzoxazole-2-thione Formula: C22H27N3O3S2 MolecularWeight: 445.59808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CN3C4=CC=CC=C4OC3=S)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)CN3C4=CC=CC=C4OC3=S)C)C

InChI

InChI=1S/C22H27N3O3S2/c1-15-13-16(2)18(4)21(17(15)3)30(26,27)24-11-9-23(10-12-24)14-25-19-7-5-6-8-20(19)28-22(25)29/h5-8,13H,9-12,14H2,1-4H3