2-cyclohexylimino-4-methyl-1-(3-morpholin-4-ylpropyl)benzo[e][1,3]benzothiazol-5-ol dihydrochloride

Systemtic Name: 2-cyclohexylimino-4-methyl-1-(3-morpholin-4-ylpropyl)benzo[e][1,3]benzothiazol-5-ol dihydrochloride Openeye Name: 2-cyclohexylimino-4-methyl-1-(3-morpholinopropyl)benzo[e][1,3]benzothiazol-5-ol dihydrochloride CAS Name: 2-cyclohexylimino-4-methyl-1-[3-(4-morpholinyl)propyl]-5-benzo[e][1,3]benzothiazolol dihydrochloride IUPAC Name: 2-cyclohexylimino-4-methyl-1-(3-morpholin-4-ylpropyl)benzo[e][1,3]benzothiazol-5-ol dihydrochloride Traditional Name: 2-cyclohexylimino-4-methyl-1-(3-morpholinopropyl)benzo[e][1,3]benzothiazol-5-ol dihydrochloride Formula: C25H35Cl2N3O2S MolecularWeight: 512.5353

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C3=C1SC(=NC4CCCCC4)N3CCCN5CCOCC5)O.Cl.Cl

Isomeric SMILES

CC1=C(C2=CC=CC=C2C3=C1SC(=NC4CCCCC4)N3CCCN5CCOCC5)O.Cl.Cl

InChI

InChI=1S/C25H33N3O2S.2ClH/c1-18-23(29)21-11-6-5-10-20(21)22-24(18)31-25(26-19-8-3-2-4-9-19)28(22)13-7-12-27-14-16-30-17-15-27;;/h5-6,10-11,19,29H,2-4,7-9,12-17H2,1H3;2*1H