3-[2-(4-azanylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-1,3-benzothiazol-2-one hydrochloride

Systemtic Name: 3-[2-(4-azanylpiperazin-1-yl)-2-oxidanylidene-ethyl]-4-chloranyl-1,3-benzothiazol-2-one hydrochloride Openeye Name: 3-[2-(4-aminopiperazin-1-yl)-2-oxo-ethyl]-4-chloro-1,3-benzothiazol-2-one hydrochloride CAS Name: 3-[2-(4-amino-1-piperazinyl)-2-oxoethyl]-4-chloro-1,3-benzothiazol-2-one hydrochloride IUPAC Name: 3-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-4-chloro-1,3-benzothiazol-2-one hydrochloride Traditional Name: 3-[2-(4-aminopiperazino)-2-keto-ethyl]-4-chloro-1,3-benzothiazol-2-one hydrochloride Formula: C13H16Cl2N4O2S MolecularWeight: 363.26274

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=C(C=CC=C3Cl)SC2=O)N.Cl

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=C(C=CC=C3Cl)SC2=O)N.Cl

InChI

InChI=1S/C13H15ClN4O2S.ClH/c14-9-2-1-3-10-12(9)18(13(20)21-10)8-11(19)16-4-6-17(15)7-5-16;/h1-3H,4-8,15H2;1H