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

Systemtic Name: 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione Openeye Name: 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione CAS Name: 3-[[4-(2-chlorophenyl)-1-piperazinyl]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione IUPAC Name: 3-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-5-ethylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 3-[[4-(2-chlorophenyl)piperazino]methyl]-5-esyl-1,3-benzoxazole-2-thione Formula: C20H22ClN3O3S2 MolecularWeight: 451.98998

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=C4Cl

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=S)N2CN3CCN(CC3)C4=CC=CC=C4Cl

InChI

InChI=1S/C20H22ClN3O3S2/c1-2-29(25,26)15-7-8-19-18(13-15)24(20(28)27-19)14-22-9-11-23(12-10-22)17-6-4-3-5-16(17)21/h3-8,13H,2,9-12,14H2,1H3