4-(3-ethoxypropylsulfanyl)-3-[2-(ethylamino)ethyl]-5-thiophen-2-yl-1,3-benzothiazol-2-one hydrochloride

Systemtic Name: 4-(3-ethoxypropylsulfanyl)-3-[2-(ethylamino)ethyl]-5-thiophen-2-yl-1,3-benzothiazol-2-one hydrochloride Openeye Name: 4-(3-ethoxypropylsulfanyl)-3-[2-(ethylamino)ethyl]-5-(2-thienyl)-1,3-benzothiazol-2-one hydrochloride CAS Name: 4-(3-ethoxypropylthio)-3-[2-(ethylamino)ethyl]-5-thiophen-2-yl-1,3-benzothiazol-2-one hydrochloride IUPAC Name: 4-(3-ethoxypropylsulfanyl)-3-[2-(ethylamino)ethyl]-5-thiophen-2-yl-1,3-benzothiazol-2-one hydrochloride Traditional Name: 4-(3-ethoxypropylthio)-3-[2-(ethylamino)ethyl]-5-(2-thienyl)-1,3-benzothiazol-2-one hydrochloride Formula: C20H27ClN2O2S3 MolecularWeight: 459.08858

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Descriptors Computed from Structure

Canonical SMILES:

CCNCCN1C2=C(C=CC(=C2SCCCOCC)C3=CC=CS3)SC1=O.Cl

Isomeric SMILES

CCNCCN1C2=C(C=CC(=C2SCCCOCC)C3=CC=CS3)SC1=O.Cl

InChI

InChI=1S/C20H26N2O2S3.ClH/c1-3-21-10-11-22-18-17(27-20(22)23)9-8-15(16-7-5-13-25-16)19(18)26-14-6-12-24-4-2;/h5,7-9,13,21H,3-4,6,10-12,14H2,1-2H3;1H