N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-2-phenoxy-ethanamide

Systemtic Name: N-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]carbothioyl-2-phenoxy-ethanamide Openeye Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-2-phenoxy-acetamide CAS Name: N-[[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]-sulfanylidenemethyl]-2-phenoxyacetamide IUPAC Name: N-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazine-1-carbothioyl]-2-phenoxyacetamide Traditional Name: N-[4-(3-morpholino-4-nitro-phenyl)piperazine-1-carbothioyl]-2-phenoxy-acetamide Formula: C23H27N5O5S MolecularWeight: 485.55598

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=S)NC(=O)COC4=CC=CC=C4

InChI

InChI=1S/C23H27N5O5S/c29-22(17-33-19-4-2-1-3-5-19)24-23(34)27-10-8-25(9-11-27)18-6-7-20(28(30)31)21(16-18)26-12-14-32-15-13-26/h1-7,16H,8-15,17H2,(H,24,29,34)