2-[4-[4-[2-(2-chloranylphenoxy)ethyl-ethyl-amino]butoxy]phenyl]-4-methyl-1,4-benzothiazin-3-one hydrochloride

Systemtic Name: 2-[4-[4-[2-(2-chloranylphenoxy)ethyl-ethyl-amino]butoxy]phenyl]-4-methyl-1,4-benzothiazin-3-one hydrochloride Openeye Name: 2-[4-[4-[2-(2-chlorophenoxy)ethyl-ethyl-amino]butoxy]phenyl]-4-methyl-1,4-benzothiazin-3-one hydrochloride CAS Name: 2-[4-[4-[2-(2-chlorophenoxy)ethyl-ethylamino]butoxy]phenyl]-4-methyl-1,4-benzothiazin-3-one hydrochloride IUPAC Name: 2-[4-[4-[2-(2-chlorophenoxy)ethyl-ethylamino]butoxy]phenyl]-4-methyl-1,4-benzothiazin-3-one hydrochloride Traditional Name: 2-[4-[4-[2-(2-chlorophenoxy)ethyl-ethyl-amino]butoxy]phenyl]-4-methyl-1,4-benzothiazin-3-one hydrochloride Formula: C29H34Cl2N2O3S MolecularWeight: 561.56286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CCCCOC1=CC=C(C=C1)C2C(=O)N(C3=CC=CC=C3S2)C)CCOC4=CC=CC=C4Cl.Cl

Isomeric SMILES

CCN(CCCCOC1=CC=C(C=C1)C2C(=O)N(C3=CC=CC=C3S2)C)CCOC4=CC=CC=C4Cl.Cl

InChI

InChI=1S/C29H33ClN2O3S.ClH/c1-3-32(19-21-35-26-12-6-4-10-24(26)30)18-8-9-20-34-23-16-14-22(15-17-23)28-29(33)31(2)25-11-5-7-13-27(25)36-28;/h4-7,10-17,28H,3,8-9,18-21H2,1-2H3;1H