N-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl]-5-phenethyloxy-pentanamide

Systemtic Name: N-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl]-5-phenethyloxy-pentanamide Openeye Name: N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-phenethyloxy-pentanamide CAS Name: N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-phenethyloxypentanamide IUPAC Name: N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-5-phenethyloxypentanamide Traditional Name: N-[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethyl]-5-phenethyloxy-valeramide Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCCCC(=O)NCCC2=C3C(=C(C=C2)O)NC(=O)S3

Isomeric SMILES

C1=CC=C(C=C1)CCOCCCCC(=O)NCCC2=C3C(=C(C=C2)O)NC(=O)S3

InChI

InChI=1S/C22H26N2O4S/c25-18-10-9-17(21-20(18)24-22(27)29-21)11-13-23-19(26)8-4-5-14-28-15-12-16-6-2-1-3-7-16/h1-3,6-7,9-10,25H,4-5,8,11-15H2,(H,23,26)(H,24,27)