5-ethylsulfonyl-3-[[(phenylmethyl)-propan-2-yl-amino]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-ethylsulfonyl-3-[[(phenylmethyl)-propan-2-yl-amino]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[benzyl(isopropyl)amino]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione CAS Name: 5-ethylsulfonyl-3-[[(phenylmethyl)-propan-2-ylamino]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[benzyl(propan-2-yl)amino]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 3-[[benzyl(isopropyl)amino]methyl]-5-esyl-1,3-benzoxazole-2-thione Formula: C20H24N2O3S2 MolecularWeight: 404.54616

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN(CC3=CC=CC=C3)C(C)C

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN(CC3=CC=CC=C3)C(C)C

InChI

InChI=1S/C20H24N2O3S2/c1-4-27(23,24)17-10-11-19-18(12-17)22(20(26)25-19)14-21(15(2)3)13-16-8-6-5-7-9-16/h5-12,15H,4,13-14H2,1-3H3