5-piperidin-1-ylsulfonyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione

Systemtic Name: 5-piperidin-1-ylsulfonyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Openeye Name: 5-(1-piperidylsulfonyl)-3-[[4-(4-pyridylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione CAS Name: 5-(1-piperidinylsulfonyl)-3-[[4-(pyridin-4-ylmethyl)-1-piperazinyl]methyl]-1,3-benzoxazole-2-thione IUPAC Name: 5-piperidin-1-ylsulfonyl-3-[[4-(pyridin-4-ylmethyl)piperazin-1-yl]methyl]-1,3-benzoxazole-2-thione Traditional Name: 5-piperidinosulfonyl-3-[[4-(4-pyridylmethyl)piperazino]methyl]-1,3-benzoxazole-2-thione Formula: C23H29N5O3S2 MolecularWeight: 487.63806

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3CN4CCN(CC4)CC5=CC=NC=C5

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OC(=S)N3CN4CCN(CC4)CC5=CC=NC=C5

InChI

InChI=1S/C23H29N5O3S2/c29-33(30,27-10-2-1-3-11-27)20-4-5-22-21(16-20)28(23(32)31-22)18-26-14-12-25(13-15-26)17-19-6-8-24-9-7-19/h4-9,16H,1-3,10-15,17-18H2