N-(1,3-benzothiazol-2-ylmethyl)-5-nitro-2-piperidin-1-yl-benzamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-5-nitro-2-piperidin-1-yl-benzamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-5-nitro-2-(1-piperidyl)benzamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-5-nitro-2-(1-piperidinyl)benzamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-5-nitro-2-piperidin-1-ylbenzamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-5-nitro-2-piperidino-benzamide Formula: C20H20N4O3S MolecularWeight: 396.4628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H20N4O3S/c25-20(21-13-19-22-16-6-2-3-7-18(16)28-19)15-12-14(24(26)27)8-9-17(15)23-10-4-1-5-11-23/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,21,25)