3-[[cyclohexyl(ethyl)amino]methyl]-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-2-thione

Systemtic Name: 3-[[cyclohexyl(ethyl)amino]methyl]-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-2-thione Openeye Name: 3-[[cyclohexyl(ethyl)amino]methyl]-5-(1-piperidylsulfonyl)-1,3-benzoxazole-2-thione CAS Name: 3-[[cyclohexyl(ethyl)amino]methyl]-5-(1-piperidinylsulfonyl)-1,3-benzoxazole-2-thione IUPAC Name: 3-[[cyclohexyl(ethyl)amino]methyl]-5-piperidin-1-ylsulfonyl-1,3-benzoxazole-2-thione Traditional Name: 3-[[cyclohexyl(ethyl)amino]methyl]-5-piperidinosulfonyl-1,3-benzoxazole-2-thione Formula: C21H31N3O3S2 MolecularWeight: 437.61914

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CN1C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC1=S)C4CCCCC4

Isomeric SMILES

CCN(CN1C2=C(C=CC(=C2)S(=O)(=O)N3CCCCC3)OC1=S)C4CCCCC4

InChI

InChI=1S/C21H31N3O3S2/c1-2-22(17-9-5-3-6-10-17)16-24-19-15-18(11-12-20(19)27-21(24)28)29(25,26)23-13-7-4-8-14-23/h11-12,15,17H,2-10,13-14,16H2,1H3