4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-nitro-benzamide

Systemtic Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-nitro-benzamide Openeye Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-nitro-benzamide CAS Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-3-nitrobenzamide IUPAC Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-3-nitrobenzamide Traditional Name: 4-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-3-nitro-benzamide Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C4=C(C=C(C=C4)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O3S/c1-13(20-22-15-4-2-3-5-18(15)29-20)23-8-10-24(11-9-23)16-7-6-14(19(21)26)12-17(16)25(27)28/h2-7,12-13H,8-11H2,1H3,(H2,21,26)