(3-chloranyl-1-benzothiophen-2-yl)-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]methanone

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)-[4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]methanone Openeye Name: (3-chlorobenzothiophen-2-yl)-[4-(3-morpholino-4-nitro-phenyl)piperazin-1-yl]methanone CAS Name: (3-chloro-1-benzothiophen-2-yl)-[4-[3-(4-morpholinyl)-4-nitrophenyl]-1-piperazinyl]methanone IUPAC Name: (3-chloro-1-benzothiophen-2-yl)-[4-(3-morpholin-4-yl-4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: (3-chlorobenzothiophen-2-yl)-[4-(3-morpholino-4-nitro-phenyl)piperazino]methanone Formula: C23H23ClN4O4S MolecularWeight: 486.97112

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

Isomeric SMILES

C1CN(CCN1C2=CC(=C(C=C2)[N+](=O)[O-])N3CCOCC3)C(=O)C4=C(C5=CC=CC=C5S4)Cl

InChI

InChI=1S/C23H23ClN4O4S/c24-21-17-3-1-2-4-20(17)33-22(21)23(29)27-9-7-25(8-10-27)16-5-6-18(28(30)31)19(15-16)26-11-13-32-14-12-26/h1-6,15H,7-14H2