1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; N-hexyl-N'-phenyl-ethanediamide

Systemtic Name: 1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one; N-hexyl-N'-phenyl-ethanediamide Openeye Name: 1,1-dioxo-1,2-benzothiazol-3-one; N-hexyl-N'-phenyl-oxamide CAS Name: 1,1-dioxo-1,2-benzothiazol-3-one; N-hexyl-N'-phenyloxamide IUPAC Name: 1,1-dioxo-1,2-benzothiazol-3-one; N-hexyl-N'-phenyloxamide Traditional Name: 1,1-diketo-1,2-benzothiazol-3-one; N-hexyl-N'-phenyl-oxamide Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C(=O)NC1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

Isomeric SMILES

CCCCCCNC(=O)C(=O)NC1=CC=CC=C1.C1=CC=C2C(=C1)C(=O)NS2(=O)=O

InChI

InChI=1S/C14H20N2O2.C7H5NO3S/c1-2-3-4-8-11-15-13(17)14(18)16-12-9-6-5-7-10-12;9-7-5-3-1-2-4-6(5)12(10,11)8-7/h5-7,9-10H,2-4,8,11H2,1H3,(H,15,17)(H,16,18);1-4H,(H,8,9)