4-oxidanyl-7-[2-(4-phenethyloxybutylamino)ethyl]-3H-1,3-benzothiazol-2-one hydrochloride

Systemtic Name: 4-oxidanyl-7-[2-(4-phenethyloxybutylamino)ethyl]-3H-1,3-benzothiazol-2-one hydrochloride Openeye Name: 4-hydroxy-7-[2-(4-phenethyloxybutylamino)ethyl]-3H-1,3-benzothiazol-2-one hydrochloride CAS Name: 4-hydroxy-7-[2-(4-phenethyloxybutylamino)ethyl]-3H-1,3-benzothiazol-2-one hydrochloride IUPAC Name: 4-hydroxy-7-[2-(4-phenethyloxybutylamino)ethyl]-3H-1,3-benzothiazol-2-one hydrochloride Traditional Name: 4-hydroxy-7-[2-(4-phenethyloxybutylamino)ethyl]-3H-1,3-benzothiazol-2-one hydrochloride Formula: C21H27ClN2O3S MolecularWeight: 422.96868

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOCCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.Cl

Isomeric SMILES

C1=CC=C(C=C1)CCOCCCCNCCC2=C3C(=C(C=C2)O)NC(=O)S3.Cl

InChI

InChI=1S/C21H26N2O3S.ClH/c24-18-9-8-17(20-19(18)23-21(25)27-20)10-13-22-12-4-5-14-26-15-11-16-6-2-1-3-7-16;/h1-3,6-9,22,24H,4-5,10-15H2,(H,23,25);1H