(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one Openeye Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one CAS Name: (2S)-1-(4-ethyl-1-piperazin-4-iumyl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]-1-propanone IUPAC Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-1-one Traditional Name: (2S)-1-(4-ethylpiperazin-4-ium-1-yl)-2-[(6-nitro-1,3-benzothiazol-2-yl)thio]propan-1-one Formula: C16H21N4O3S2+ MolecularWeight: 381.49294

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O3S2/c1-3-18-6-8-19(9-7-18)15(21)11(2)24-16-17-13-5-4-12(20(22)23)10-14(13)25-16/h4-5,10-11H,3,6-9H2,1-2H3/p+1/t11-/m0/s1