1-[2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylethanoyl]imidazolidin-2-one

Systemtic Name: 1-[2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonylpyridin-2-yl]sulfanylethanoyl]imidazolidin-2-one Openeye Name: 1-[2-[[5-(4-benzylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanyl]acetyl]imidazolidin-2-one CAS Name: 1-[1-oxo-2-[[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-pyridinyl]thio]ethyl]-2-imidazolidinone IUPAC Name: 1-[2-[5-(4-benzylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylacetyl]imidazolidin-2-one Traditional Name: 1-[2-[[5-(4-benzylpiperazino)sulfonyl-2-pyridyl]thio]acetyl]-2-imidazolidinone Formula: C21H25N5O4S2 MolecularWeight: 475.5843

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(=O)N1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

C1CN(C(=O)N1)C(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C21H25N5O4S2/c27-20(26-9-8-22-21(26)28)16-31-19-7-6-18(14-23-19)32(29,30)25-12-10-24(11-13-25)15-17-4-2-1-3-5-17/h1-7,14H,8-13,15-16H2,(H,22,28)