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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC[C@H]3CCCO3

InChI

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