QDW

Summary

Name:	methoxymethyloxathiatetraazatetracyclodocosahexaenedione
Formula:	C18 H22 N4 O4 S
Formal charge:	0
Formula weight:	390.457 Da
Component type:	non-polymer
Ambiguous Chemistry Warning:	The chemical description of this component is not well described in this definition. Descriptors and chemical names should be used with caution.

Chemical Descriptors

Type	Program	Version	Descriptor
InChI	InChI	1.03	InChI=1S/C18H22N4O4S/c1-21-6-8-27(23,24)20-15-10-14(11-19-18(15)25-2)22-5-7-26-17-4-3-13(12-21)9-16(17)22/h3-4,9-11,20H,5-8,12H2,1-2H3
InChIKey	InChI	1.03	GANNRSDWVBVNOE-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	COc1ncc2cc1N[S](=O)(=O)CCN(C)Cc3ccc4OCCN2c4c3
SMILES	CACTVS	3.385	COc1ncc2cc1N[S](=O)(=O)CCN(C)Cc3ccc4OCCN2c4c3
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1
SMILES	OpenEye OEToolkits	2.0.7	CN1CCS(=O)(=O)Nc2cc(cnc2OC)N3CCOc4c3cc(cc4)C1