5-[5-(butylaminomethyl)-2-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-3-one

Systemtic Name: 5-[5-(butylaminomethyl)-2-oxidanyl-phenyl]-1,1-bis(oxidanylidene)-1,2,5-thiadiazolidin-3-one Openeye Name: 5-[5-(butylaminomethyl)-2-hydroxy-phenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one CAS Name: 5-[5-(butylaminomethyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one IUPAC Name: 5-[5-(butylaminomethyl)-2-hydroxyphenyl]-1,1-dioxo-1,2,5-thiadiazolidin-3-one Traditional Name: 5-[5-(butylaminomethyl)-2-hydroxy-phenyl]-1,1-diketo-1,2,5-thiadiazolidin-3-one Formula: C13H19N3O4S MolecularWeight: 313.37266

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=CC(=C(C=C1)O)N2CC(=O)NS2(=O)=O

Isomeric SMILES

CCCCNCC1=CC(=C(C=C1)O)N2CC(=O)NS2(=O)=O

InChI

InChI=1S/C13H19N3O4S/c1-2-3-6-14-8-10-4-5-12(17)11(7-10)16-9-13(18)15-21(16,19)20/h4-5,7,14,17H,2-3,6,8-9H2,1H3,(H,15,18)