5-ethylsulfonyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-ethylsulfonyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione Openeye Name: 5-ethylsulfonyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione CAS Name: 5-ethylsulfonyl-3-[(4-phenyl-1-piperazinyl)methyl]-1,3-benzoxazole-2-thione IUPAC Name: 5-ethylsulfonyl-3-[(4-phenylpiperazin-1-yl)methyl]-1,3-benzoxazole-2-thione Traditional Name: 5-esyl-3-[(4-phenylpiperazino)methyl]-1,3-benzoxazole-2-thione Formula: C20H23N3O3S2 MolecularWeight: 417.54492

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CCN(CC3)C4=CC=CC=C4

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CCN(CC3)C4=CC=CC=C4

InChI

InChI=1S/C20H23N3O3S2/c1-2-28(24,25)17-8-9-19-18(14-17)23(20(27)26-19)15-21-10-12-22(13-11-21)16-6-4-3-5-7-16/h3-9,14H,2,10-13,15H2,1H3