4-(4-ethoxyphenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethoxyphenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbothioamide Openeye Name: 4-(4-ethoxyphenyl)sulfonyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide CAS Name: 4-(4-ethoxyphenyl)sulfonyl-N-[[(2S)-2-oxolanyl]methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-ethoxyphenyl)sulfonyl-N-[[(2S)-oxolan-2-yl]methyl]piperazine-1-carbothioamide Traditional Name: 4-p-phenetylsulfonyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide Formula: C18H27N3O4S2 MolecularWeight: 413.55468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC[C@@H]3CCCO3

InChI

InChI=1S/C18H27N3O4S2/c1-2-24-15-5-7-17(8-6-15)27(22,23)21-11-9-20(10-12-21)18(26)19-14-16-4-3-13-25-16/h5-8,16H,2-4,9-14H2,1H3,(H,19,26)/t16-/m0/s1