4-(3,4-dimethylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide Openeye Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide CAS Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[[(2R)-2-oxolanyl]methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide Traditional Name: 4-(3,4-dimethylphenyl)sulfonyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide Formula: C18H27N3O3S2 MolecularWeight: 397.55528

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3CCCO3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC[C@H]3CCCO3)C

InChI

InChI=1S/C18H27N3O3S2/c1-14-5-6-17(12-15(14)2)26(22,23)21-9-7-20(8-10-21)18(25)19-13-16-4-3-11-24-16/h5-6,12,16H,3-4,7-11,13H2,1-2H3,(H,19,25)/t16-/m1/s1