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

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

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