4-(2-ethoxyethylsulfanyl)-3-[2-(propylamino)ethyl]-5-pyridin-2-yl-1,3-benzothiazol-2-one dihydrochloride

Systemtic Name: 4-(2-ethoxyethylsulfanyl)-3-[2-(propylamino)ethyl]-5-pyridin-2-yl-1,3-benzothiazol-2-one dihydrochloride Openeye Name: 4-(2-ethoxyethylsulfanyl)-3-[2-(propylamino)ethyl]-5-(2-pyridyl)-1,3-benzothiazol-2-one dihydrochloride CAS Name: 4-(2-ethoxyethylthio)-3-[2-(propylamino)ethyl]-5-(2-pyridinyl)-1,3-benzothiazol-2-one dihydrochloride IUPAC Name: 4-(2-ethoxyethylsulfanyl)-3-[2-(propylamino)ethyl]-5-pyridin-2-yl-1,3-benzothiazol-2-one dihydrochloride Traditional Name: 4-(2-ethoxyethylthio)-3-[2-(propylamino)ethyl]-5-(2-pyridyl)-1,3-benzothiazol-2-one dihydrochloride Formula: C21H29Cl2N3O2S2 MolecularWeight: 490.50986

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Descriptors Computed from Structure

Canonical SMILES:

CCCNCCN1C2=C(C=CC(=C2SCCOCC)C3=CC=CC=N3)SC1=O.Cl.Cl

Isomeric SMILES

CCCNCCN1C2=C(C=CC(=C2SCCOCC)C3=CC=CC=N3)SC1=O.Cl.Cl

InChI

InChI=1S/C21H27N3O2S2.2ClH/c1-3-10-22-12-13-24-19-18(28-21(24)25)9-8-16(17-7-5-6-11-23-17)20(19)27-15-14-26-4-2;;/h5-9,11,22H,3-4,10,12-15H2,1-2H3;2*1H