1-[5-chloranyl-2-[5-methoxy-2-[3-[oxidanyl(propan-2-yl)amino]propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone hydrochloride

Systemtic Name: 1-[5-chloranyl-2-[5-methoxy-2-[3-[oxidanyl(propan-2-yl)amino]propoxy]phenyl]-2H-1,3-benzothiazol-3-yl]ethanone hydrochloride Openeye Name: 1-[5-chloro-2-[2-[3-[hydroxy(isopropyl)amino]propoxy]-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone hydrochloride CAS Name: 1-[5-chloro-2-[2-[3-[hydroxy(propan-2-yl)amino]propoxy]-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone hydrochloride IUPAC Name: 1-[5-chloro-2-[2-[3-[hydroxy(propan-2-yl)amino]propoxy]-5-methoxyphenyl]-2H-1,3-benzothiazol-3-yl]ethanone hydrochloride Traditional Name: 1-[5-chloro-2-[2-[3-[hydroxy(isopropyl)amino]propoxy]-5-methoxy-phenyl]-2H-1,3-benzothiazol-3-yl]ethanone hydrochloride Formula: C22H28Cl2N2O4S MolecularWeight: 487.43972

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CCCOC1=C(C=C(C=C1)OC)C2N(C3=C(S2)C=CC(=C3)Cl)C(=O)C)O.Cl

Isomeric SMILES

CC(C)N(CCCOC1=C(C=C(C=C1)OC)C2N(C3=C(S2)C=CC(=C3)Cl)C(=O)C)O.Cl

InChI

InChI=1S/C22H27ClN2O4S.ClH/c1-14(2)24(27)10-5-11-29-20-8-7-17(28-4)13-18(20)22-25(15(3)26)19-12-16(23)6-9-21(19)30-22;/h6-9,12-14,22,27H,5,10-11H2,1-4H3;1H