4-(4-tert-butylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide

Systemtic Name: 4-(4-tert-butylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide Openeye Name: 4-(4-tert-butylphenyl)sulfonyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide CAS Name: 4-(4-tert-butylphenyl)sulfonyl-N-[[(2R)-2-oxolanyl]methyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-tert-butylphenyl)sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]piperazine-1-carbothioamide Traditional Name: 4-(4-tert-butylphenyl)sulfonyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide Formula: C20H31N3O3S2 MolecularWeight: 425.60844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O3S2/c1-20(2,3)16-6-8-18(9-7-16)28(24,25)23-12-10-22(11-13-23)19(27)21-15-17-5-4-14-26-17/h6-9,17H,4-5,10-15H2,1-3H3,(H,21,27)/t17-/m1/s1