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

Systemtic Name: 5-ethylsulfonyl-3-[[phenethyl-(phenylmethyl)amino]methyl]-1,3-benzoxazole-2-thione Openeye Name: 3-[[benzyl(phenethyl)amino]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione CAS Name: 5-ethylsulfonyl-3-[[phenethyl-(phenylmethyl)amino]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 3-[[benzyl(phenethyl)amino]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 3-[[benzyl(phenethyl)amino]methyl]-5-esyl-1,3-benzoxazole-2-thione Formula: C25H26N2O3S2 MolecularWeight: 466.61554

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN(CCC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN(CCC3=CC=CC=C3)CC4=CC=CC=C4

InChI

InChI=1S/C25H26N2O3S2/c1-2-32(28,29)22-13-14-24-23(17-22)27(25(31)30-24)19-26(18-21-11-7-4-8-12-21)16-15-20-9-5-3-6-10-20/h3-14,17H,2,15-16,18-19H2,1H3