4-(2-phenethyloxyethylsulfanyl)-3-[2-(propylamino)ethyl]-1,3-benzothiazol-2-one hydrochloride

Systemtic Name: 4-(2-phenethyloxyethylsulfanyl)-3-[2-(propylamino)ethyl]-1,3-benzothiazol-2-one hydrochloride Openeye Name: 4-(2-phenethyloxyethylsulfanyl)-3-[2-(propylamino)ethyl]-1,3-benzothiazol-2-one hydrochloride CAS Name: 4-(2-phenethyloxyethylthio)-3-[2-(propylamino)ethyl]-1,3-benzothiazol-2-one hydrochloride IUPAC Name: 4-(2-phenethyloxyethylsulfanyl)-3-[2-(propylamino)ethyl]-1,3-benzothiazol-2-one hydrochloride Traditional Name: 4-(2-phenethyloxyethylthio)-3-[2-(propylamino)ethyl]-1,3-benzothiazol-2-one hydrochloride Formula: C22H29ClN2O2S2 MolecularWeight: 453.06086

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCN1C2=C(C=CC=C2SCCOCCC3=CC=CC=C3)SC1=O.Cl

Isomeric SMILES

CCCNCCN1C2=C(C=CC=C2SCCOCCC3=CC=CC=C3)SC1=O.Cl

InChI

InChI=1S/C22H28N2O2S2.ClH/c1-2-12-23-13-14-24-21-19(9-6-10-20(21)28-22(24)25)27-17-16-26-15-11-18-7-4-3-5-8-18;/h3-10,23H,2,11-17H2,1H3;1H