N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide

Systemtic Name: N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]-2-[4-(phenylmethyl)piperazin-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperazin-1-yl)-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide CAS Name: N-[4-(3-nitrophenyl)-2-thiazolyl]-2-[4-(phenylmethyl)-1-piperazinyl]acetamide IUPAC Name: 2-(4-benzylpiperazin-1-yl)-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]acetamide Traditional Name: 2-(4-benzylpiperazino)-N-[4-(3-nitrophenyl)thiazol-2-yl]acetamide Formula: C22H23N5O3S MolecularWeight: 437.51472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)CC(=O)NC3=NC(=CS3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H23N5O3S/c28-21(15-26-11-9-25(10-12-26)14-17-5-2-1-3-6-17)24-22-23-20(16-31-22)18-7-4-8-19(13-18)27(29)30/h1-8,13,16H,9-12,14-15H2,(H,23,24,28)