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

Systemtic Name: N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-nitro-benzamide Openeye Name: N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-nitro-benzamide CAS Name: N-[2-[2-[4-(1,2-benzothiazol-3-yl)-1-piperazinyl]ethyl]phenyl]-2-nitrobenzamide IUPAC Name: N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazin-1-yl]ethyl]phenyl]-2-nitrobenzamide Traditional Name: N-[2-[2-[4-(1,2-benzothiazol-3-yl)piperazino]ethyl]phenyl]-2-nitro-benzamide Formula: C26H25N5O3S MolecularWeight: 487.5734

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC=CC=C2NC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCC2=CC=CC=C2NC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=NSC5=CC=CC=C54

InChI

InChI=1S/C26H25N5O3S/c32-26(20-8-2-5-11-23(20)31(33)34)27-22-10-4-1-7-19(22)13-14-29-15-17-30(18-16-29)25-21-9-3-6-12-24(21)35-28-25/h1-12H,13-18H2,(H,27,32)