N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide

Systemtic Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide Openeye Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide CAS Name: N-[4-(2-pyrimidinylsulfamoyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide Traditional Name: N-[4-(2-pyrimidylsulfamoyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide Formula: C18H21N5O4S2 MolecularWeight: 435.52044

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC12OCCO2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CCC12OCCO2)C(=S)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C18H21N5O4S2/c24-29(25,22-16-19-8-1-9-20-16)15-4-2-14(3-5-15)21-17(28)23-10-6-18(7-11-23)26-12-13-27-18/h1-5,8-9H,6-7,10-13H2,(H,21,28)(H,19,20,22)