5-ethylsulfonyl-3-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-ethylsulfonyl-3-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazole-2-thione Openeye Name: 5-ethylsulfonyl-3-[[(4-isopropylphenyl)methyl-methyl-amino]methyl]-1,3-benzoxazole-2-thione CAS Name: 5-ethylsulfonyl-3-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 5-ethylsulfonyl-3-[[methyl-[(4-propan-2-ylphenyl)methyl]amino]methyl]-1,3-benzoxazole-2-thione Traditional Name: 5-esyl-3-[[(4-isopropylbenzyl)-methyl-amino]methyl]-1,3-benzoxazole-2-thione Formula: C21H26N2O3S2 MolecularWeight: 418.57274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S2/c1-5-28(24,25)18-10-11-20-19(12-18)23(21(27)26-20)14-22(4)13-16-6-8-17(9-7-16)15(2)3/h6-12,15H,5,13-14H2,1-4H3