2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-N-(2-nitro-5-propylsulfanyl-phenyl)ethanamide

Systemtic Name: 2-[4-(1-benzofuran-2-ylcarbonyl)piperazin-1-yl]-N-(2-nitro-5-propylsulfanyl-phenyl)ethanamide Openeye Name: 2-[4-(benzofuran-2-carbonyl)piperazin-1-yl]-N-(2-nitro-5-propylsulfanyl-phenyl)acetamide CAS Name: 2-[4-[2-benzofuranyl(oxo)methyl]-1-piperazinyl]-N-[2-nitro-5-(propylthio)phenyl]acetamide IUPAC Name: 2-[4-(1-benzofuran-2-carbonyl)piperazin-1-yl]-N-(2-nitro-5-propylsulfanylphenyl)acetamide Traditional Name: 2-[4-(benzofuran-2-carbonyl)piperazino]-N-[2-nitro-5-(propylthio)phenyl]acetamide Formula: C24H26N4O5S MolecularWeight: 482.55204

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CCCSC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)CN2CCN(CC2)C(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C24H26N4O5S/c1-2-13-34-18-7-8-20(28(31)32)19(15-18)25-23(29)16-26-9-11-27(12-10-26)24(30)22-14-17-5-3-4-6-21(17)33-22/h3-8,14-15H,2,9-13,16H2,1H3,(H,25,29)