N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[(3S)-1,1-dioxo-3-thiolanyl]-N-phenyl-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[(3S)-1,1-dioxothiolan-3-yl]-N-phenyl-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[(3S)-1,1-diketothiolan-3-yl]-N-phenyl-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C20H26N5O3S+ MolecularWeight: 416.51714

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CS(=O)(=O)C[C@H]1N(C2=CC=CC=C2)C(=O)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C20H25N5O3S/c26-19(15-23-10-12-24(13-11-23)20-21-8-4-9-22-20)25(17-5-2-1-3-6-17)18-7-14-29(27,28)16-18/h1-6,8-9,18H,7,10-16H2/p+1/t18-/m0/s1