N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[1,1-bis(oxidanylidene)thiolan-3-yl]-N-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]ethanamide Openeye Name: N-(1,1-dioxothiolan-3-yl)-N-phenyl-2-[4-(2-pyridylmethyl)piperazin-1-yl]acetamide CAS Name: N-(1,1-dioxo-3-thiolanyl)-N-phenyl-2-[4-(2-pyridinylmethyl)-1-piperazinyl]acetamide IUPAC Name: N-(1,1-dioxothiolan-3-yl)-N-phenyl-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide Traditional Name: N-(1,1-diketothiolan-3-yl)-N-phenyl-2-[4-(2-pyridylmethyl)piperazino]acetamide Formula: C22H28N4O3S MolecularWeight: 428.54772

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)CN3CCN(CC3)CC4=CC=CC=N4

Isomeric SMILES

C1CS(=O)(=O)CC1N(C2=CC=CC=C2)C(=O)CN3CCN(CC3)CC4=CC=CC=N4

InChI

InChI=1S/C22H28N4O3S/c27-22(17-25-13-11-24(12-14-25)16-19-6-4-5-10-23-19)26(20-7-2-1-3-8-20)21-9-15-30(28,29)18-21/h1-8,10,21H,9,11-18H2