3-oxidanyl-7-[2-(6-phenylmethoxyhexylamino)ethyl]-1,3-benzothiazol-2-one hydrochloride

Systemtic Name: 3-oxidanyl-7-[2-(6-phenylmethoxyhexylamino)ethyl]-1,3-benzothiazol-2-one hydrochloride Openeye Name: 7-[2-(6-benzyloxyhexylamino)ethyl]-3-hydroxy-1,3-benzothiazol-2-one hydrochloride CAS Name: 3-hydroxy-7-[2-(6-phenylmethoxyhexylamino)ethyl]-1,3-benzothiazol-2-one hydrochloride IUPAC Name: 3-hydroxy-7-[2-(6-phenylmethoxyhexylamino)ethyl]-1,3-benzothiazol-2-one hydrochloride Traditional Name: 7-[2-(6-benzoxyhexylamino)ethyl]-3-hydroxy-1,3-benzothiazol-2-one hydrochloride Formula: C22H29ClN2O3S MolecularWeight: 436.99526

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCCCCCCNCCC2=C3C(=CC=C2)N(C(=O)S3)O.Cl

Isomeric SMILES

C1=CC=C(C=C1)COCCCCCCNCCC2=C3C(=CC=C2)N(C(=O)S3)O.Cl

InChI

InChI=1S/C22H28N2O3S.ClH/c25-22-24(26)20-12-8-11-19(21(20)28-22)13-15-23-14-6-1-2-7-16-27-17-18-9-4-3-5-10-18;/h3-5,8-12,23,26H,1-2,6-7,13-17H2;1H