N-(2-ethylphenyl)-2-[4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]piperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethylphenyl)-2-[4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]piperazin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethylphenyl)-2-[4-[[(2R)-tetrahydrofuran-2-yl]methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(2-ethylphenyl)-2-[4-[[[(2R)-2-oxolanyl]methylamino]-sulfanylidenemethyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(2-ethylphenyl)-2-[4-[[(2R)-oxolan-2-yl]methylcarbamothioyl]piperazin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethylphenyl)-2-[4-[[(2R)-tetrahydrofuran-2-yl]methylthiocarbamoyl]piperazin-1-ium-1-yl]acetamide Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NCC3CCCO3

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=S)NC[C@H]3CCCO3

InChI

InChI=1S/C20H30N4O2S/c1-2-16-6-3-4-8-18(16)22-19(25)15-23-9-11-24(12-10-23)20(27)21-14-17-7-5-13-26-17/h3-4,6,8,17H,2,5,7,9-15H2,1H3,(H,21,27)(H,22,25)/p+1/t17-/m1/s1