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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=NSC5=CC=CC=C54

Isomeric SMILES

C1CN(CCN1CCC2=CC(=CC=C2)NC(=O)C3=CC=CC=C3[N+](=O)[O-])C4=NSC5=CC=CC=C54

InChI

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