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

Systemtic Name: N-[[(2R)-oxolan-2-yl]methyl]-4-[(E)-2-phenylethenyl]sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-[(E)-styryl]sulfonyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide CAS Name: N-[[(2R)-2-oxolanyl]methyl]-4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-[[(2R)-oxolan-2-yl]methyl]-4-[(E)-2-phenylethenyl]sulfonylpiperazine-1-carbothioamide Traditional Name: 4-[(E)-styryl]sulfonyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]piperazine-1-carbothioamide Formula: C18H25N3O3S2 MolecularWeight: 395.5394

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)C=CC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](OC1)CNC(=S)N2CCN(CC2)S(=O)(=O)/C=C/C3=CC=CC=C3

InChI

InChI=1S/C18H25N3O3S2/c22-26(23,14-8-16-5-2-1-3-6-16)21-11-9-20(10-12-21)18(25)19-15-17-7-4-13-24-17/h1-3,5-6,8,14,17H,4,7,9-13,15H2,(H,19,25)/b14-8+/t17-/m1/s1