N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2-nitro-benzamide chloride

Systemtic Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2-nitro-benzamide chloride Openeye Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2-nitro-benzamide chloride CAS Name: N-[4-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]butyl]-2-nitrobenzamide chloride IUPAC Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]butyl]-2-nitrobenzamide chloride Traditional Name: N-[4-[4-(1,2-benzothiazol-3-yl)piperazino]butyl]-2-nitro-benzamide chloride Formula: C22H25ClN5O3S- MolecularWeight: 474.9836

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCNC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NSC4=CC=CC=C43.[Cl-]

Isomeric SMILES

C1CN(CCN1CCCCNC(=O)C2=CC=CC=C2[N+](=O)[O-])C3=NSC4=CC=CC=C43.[Cl-]

InChI

InChI=1S/C22H25N5O3S.ClH/c28-22(17-7-1-3-9-19(17)27(29)30)23-11-5-6-12-25-13-15-26(16-14-25)21-18-8-2-4-10-20(18)31-24-21;/h1-4,7-10H,5-6,11-16H2,(H,23,28);1H/p-1