A1BXD

Summary

Chemical Identifiers

Program	Version	Name
ACDLabs	14.52	N-(2,6-dimethylphenyl)-N-{2-[4-(1,2,4-oxadiazol-3-yl)anilino]-2-oxoethyl}-1,1-dioxo-1lambda~6~-thiane-4-carboxamide
OpenEye OEToolkits	3.1.0.0	~{N}-(2,6-dimethylphenyl)-~{N}-[2-[[4-(1,2,4-oxadiazol-3-yl)phenyl]amino]-2-oxidanylidene-ethyl]-1,1-bis(oxidanylidene)thiane-4-carboxamide

Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	O=S1(=O)CCC(CC1)C(=O)N(CC(=O)Nc1ccc(cc1)c1ncon1)c1c(C)cccc1C
InChI	InChI	1.06	InChI=1S/C24H26N4O5S/c1-16-4-3-5-17(2)22(16)28(24(30)19-10-12-34(31,32)13-11-19)14-21(29)26-20-8-6-18(7-9-20)23-25-15-33-27-23/h3-9,15,19H,10-14H2,1-2H3,(H,26,29)
InChIKey	InChI	1.06	MNHNIVNAFBSLLX-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	Cc1cccc(C)c1N(CC(=O)Nc2ccc(cc2)c3nocn3)C(=O)C4CC[S](=O)(=O)CC4
SMILES	CACTVS	3.385	Cc1cccc(C)c1N(CC(=O)Nc2ccc(cc2)c3nocn3)C(=O)C4CC[S](=O)(=O)CC4
SMILES_CANONICAL	OpenEye OEToolkits	3.1.0.0	Cc1cccc(c1N(CC(=O)Nc2ccc(cc2)c3ncon3)C(=O)C4CCS(=O)(=O)CC4)C
SMILES	OpenEye OEToolkits	3.1.0.0	Cc1cccc(c1N(CC(=O)Nc2ccc(cc2)c3ncon3)C(=O)C4CCS(=O)(=O)CC4)C