5-morpholin-4-ylsulfonyl-3-[[pentyl(propan-2-yl)amino]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-morpholin-4-ylsulfonyl-3-[[pentyl(propan-2-yl)amino]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[isopropyl(pentyl)amino]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione CAS Name: 5-(4-morpholinylsulfonyl)-3-[[pentyl(propan-2-yl)amino]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 5-morpholin-4-ylsulfonyl-3-[[pentyl(propan-2-yl)amino]methyl]-1,3-benzoxazole-2-thione Traditional Name: 3-[[amyl(isopropyl)amino]methyl]-5-morpholinosulfonyl-1,3-benzoxazole-2-thione Formula: C20H31N3O4S2 MolecularWeight: 441.60784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(CN1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC1=S)C(C)C

Isomeric SMILES

CCCCCN(CN1C2=C(C=CC(=C2)S(=O)(=O)N3CCOCC3)OC1=S)C(C)C

InChI

InChI=1S/C20H31N3O4S2/c1-4-5-6-9-21(16(2)3)15-23-18-14-17(7-8-19(18)27-20(23)28)29(24,25)22-10-12-26-13-11-22/h7-8,14,16H,4-6,9-13,15H2,1-3H3