N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide

Systemtic Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide Openeye Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide CAS Name: N-[4-(1-pyrrolidinylsulfonyl)phenyl]-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide IUPAC Name: N-(4-pyrrolidin-1-ylsulfonylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide Traditional Name: N-(4-pyrrolidinosulfonylphenyl)-1,4-dioxa-8-azaspiro[4.5]decane-8-carbothioamide Formula: C18H25N3O4S2 MolecularWeight: 411.5388

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCC4(CC3)OCCO4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)NC(=S)N3CCC4(CC3)OCCO4

InChI

InChI=1S/C18H25N3O4S2/c22-27(23,21-9-1-2-10-21)16-5-3-15(4-6-16)19-17(26)20-11-7-18(8-12-20)24-13-14-25-18/h3-6H,1-2,7-14H2,(H,19,26)