3-[2-(4-azanylpiperazin-1-yl)-2-oxidanylidene-ethyl]-6-nitro-1,3-benzothiazol-2-one hydrochloride

Systemtic Name: 3-[2-(4-azanylpiperazin-1-yl)-2-oxidanylidene-ethyl]-6-nitro-1,3-benzothiazol-2-one hydrochloride Openeye Name: 3-[2-(4-aminopiperazin-1-yl)-2-oxo-ethyl]-6-nitro-1,3-benzothiazol-2-one hydrochloride CAS Name: 3-[2-(4-amino-1-piperazinyl)-2-oxoethyl]-6-nitro-1,3-benzothiazol-2-one hydrochloride IUPAC Name: 3-[2-(4-aminopiperazin-1-yl)-2-oxoethyl]-6-nitro-1,3-benzothiazol-2-one hydrochloride Traditional Name: 3-[2-(4-aminopiperazino)-2-keto-ethyl]-6-nitro-1,3-benzothiazol-2-one hydrochloride Formula: C13H16ClN5O4S MolecularWeight: 373.81524

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=O)N.Cl

Isomeric SMILES

C1CN(CCN1C(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])SC2=O)N.Cl

InChI

InChI=1S/C13H15N5O4S.ClH/c14-16-5-3-15(4-6-16)12(19)8-17-10-2-1-9(18(21)22)7-11(10)23-13(17)20;/h1-2,7H,3-6,8,14H2;1H