5-morpholin-4-ylsulfonyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-morpholin-4-ylsulfonyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Openeye Name: 5-morpholinosulfonyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione CAS Name: 5-(4-morpholinylsulfonyl)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 5-morpholin-4-ylsulfonyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3-benzoxazole-2-thione Traditional Name: 5-morpholinosulfonyl-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3-benzoxazole-2-thione Formula: C20H25N6O4S2+ MolecularWeight: 477.5803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S)C5=NC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=C(C=CC(=C3)S(=O)(=O)N4CCOCC4)OC2=S)C5=NC=CC=N5

InChI

InChI=1S/C20H24N6O4S2/c27-32(28,25-10-12-29-13-11-25)16-2-3-18-17(14-16)26(20(31)30-18)15-23-6-8-24(9-7-23)19-21-4-1-5-22-19/h1-5,14H,6-13,15H2/p+1