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

Systemtic Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-piperidin-1-yl-benzamide Openeye Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(1-piperidyl)benzamide CAS Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-(1-piperidinyl)benzamide IUPAC Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-piperidin-1-ylbenzamide Traditional Name: N-[3-(1,3-benzothiazol-2-yl)phenyl]-3-nitro-4-piperidino-benzamide Formula: C25H22N4O3S MolecularWeight: 458.53218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC(=C3)C4=NC5=CC=CC=C5S4)[N+](=O)[O-]

InChI

InChI=1S/C25H22N4O3S/c30-24(17-11-12-21(22(16-17)29(31)32)28-13-4-1-5-14-28)26-19-8-6-7-18(15-19)25-27-20-9-2-3-10-23(20)33-25/h2-3,6-12,15-16H,1,4-5,13-14H2,(H,26,30)