3-(2-azanylethyl)-5-(2-methyl-7-phenethyloxy-heptan-2-yl)-4-oxidanyl-1,3-benzothiazol-2-one hydrochloride

Systemtic Name: 3-(2-azanylethyl)-5-(2-methyl-7-phenethyloxy-heptan-2-yl)-4-oxidanyl-1,3-benzothiazol-2-one hydrochloride Openeye Name: 3-(2-aminoethyl)-5-(1,1-dimethyl-6-phenethyloxy-hexyl)-4-hydroxy-1,3-benzothiazol-2-one hydrochloride CAS Name: 3-(2-aminoethyl)-4-hydroxy-5-(2-methyl-7-phenethyloxyheptan-2-yl)-1,3-benzothiazol-2-one hydrochloride IUPAC Name: 3-(2-aminoethyl)-4-hydroxy-5-(2-methyl-7-phenethyloxyheptan-2-yl)-1,3-benzothiazol-2-one hydrochloride Traditional Name: 3-(2-aminoethyl)-5-(1,1-dimethyl-6-phenethyloxy-hexyl)-4-hydroxy-1,3-benzothiazol-2-one hydrochloride Formula: C25H35ClN2O3S MolecularWeight: 479.075

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCCCOCCC1=CC=CC=C1)C2=C(C3=C(C=C2)SC(=O)N3CCN)O.Cl

Isomeric SMILES

CC(C)(CCCCCOCCC1=CC=CC=C1)C2=C(C3=C(C=C2)SC(=O)N3CCN)O.Cl

InChI

InChI=1S/C25H34N2O3S.ClH/c1-25(2,14-7-4-8-17-30-18-13-19-9-5-3-6-10-19)20-11-12-21-22(23(20)28)27(16-15-26)24(29)31-21;/h3,5-6,9-12,28H,4,7-8,13-18,26H2,1-2H3;1H