5,7-dimethyl-2-(propylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol dihydrochloride

Systemtic Name: 5,7-dimethyl-2-(propylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol dihydrochloride Openeye Name: 5,7-dimethyl-2-(propylamino)-4-(3-pyridylmethyl)-1,3-benzothiazol-6-ol dihydrochloride CAS Name: 5,7-dimethyl-2-(propylamino)-4-(3-pyridinylmethyl)-1,3-benzothiazol-6-ol dihydrochloride IUPAC Name: 5,7-dimethyl-2-(propylamino)-4-(pyridin-3-ylmethyl)-1,3-benzothiazol-6-ol dihydrochloride Traditional Name: 5,7-dimethyl-2-(propylamino)-4-(3-pyridylmethyl)-1,3-benzothiazol-6-ol dihydrochloride Formula: C18H23Cl2N3OS MolecularWeight: 400.36572

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=NC2=C(S1)C(=C(C(=C2CC3=CN=CC=C3)C)O)C.Cl.Cl

Isomeric SMILES

CCCNC1=NC2=C(S1)C(=C(C(=C2CC3=CN=CC=C3)C)O)C.Cl.Cl

InChI

InChI=1S/C18H21N3OS.2ClH/c1-4-7-20-18-21-15-14(9-13-6-5-8-19-10-13)11(2)16(22)12(3)17(15)23-18;;/h5-6,8,10,22H,4,7,9H2,1-3H3,(H,20,21);2*1H