N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-[[(2R)-tetrahydrofuran-2-yl]methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[[(2R)-2-oxolanyl]methyl]-4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-mesitylsulfonyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide Formula: C19H29N3O3S2 MolecularWeight: 411.58186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H29N3O3S2/c1-14-11-15(2)18(16(3)12-14)27(23,24)22-8-6-21(7-9-22)19(26)20-13-17-5-4-10-25-17/h11-12,17H,4-10,13H2,1-3H3,(H,20,26)/t17-/m1/s1