N-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl]-3-(2-phenethyloxyethylsulfanyl)propanamide

Systemtic Name: N-[2-(4-oxidanyl-2-oxidanylidene-3H-1,3-benzothiazol-7-yl)ethyl]-3-(2-phenethyloxyethylsulfanyl)propanamide Openeye Name: N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-3-(2-phenethyloxyethylsulfanyl)propanamide CAS Name: N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-3-(2-phenethyloxyethylthio)propanamide IUPAC Name: N-[2-(4-hydroxy-2-oxo-3H-1,3-benzothiazol-7-yl)ethyl]-3-(2-phenethyloxyethylsulfanyl)propanamide Traditional Name: N-[2-(4-hydroxy-2-keto-3H-1,3-benzothiazol-7-yl)ethyl]-3-(2-phenethyloxyethylthio)propionamide Formula: C22H26N2O4S2 MolecularWeight: 446.58284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O4S2/c25-18-7-6-17(21-20(18)24-22(27)30-21)8-11-23-19(26)10-14-29-15-13-28-12-9-16-4-2-1-3-5-16/h1-7,25H,8-15H2,(H,23,26)(H,24,27)