2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide

Systemtic Name: 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide Openeye Name: 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-(2-methoxy-5-nitro-phenyl)propanamide CAS Name: 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]-1-piperazinyl]-N-(2-methoxy-5-nitrophenyl)propanamide IUPAC Name: 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazin-1-yl]-N-(2-methoxy-5-nitrophenyl)propanamide Traditional Name: 2-[4-[1-(1,3-benzothiazol-2-yl)ethyl]piperazino]-N-(2-methoxy-5-nitro-phenyl)propionamide Formula: C23H27N5O4S MolecularWeight: 469.55658

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

Isomeric SMILES

CC(C1=NC2=CC=CC=C2S1)N3CCN(CC3)C(C)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC

InChI

InChI=1S/C23H27N5O4S/c1-15(22(29)24-19-14-17(28(30)31)8-9-20(19)32-3)26-10-12-27(13-11-26)16(2)23-25-18-6-4-5-7-21(18)33-23/h4-9,14-16H,10-13H2,1-3H3,(H,24,29)