[4-(furan-2-ylcarbonyl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]methanone

Systemtic Name: [4-(furan-2-ylcarbonyl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]methanone Openeye Name: [4-(furan-2-carbonyl)piperazin-1-yl]-(4-isopentylsulfanyl-3-nitro-phenyl)methanone CAS Name: [4-[2-furanyl(oxo)methyl]-1-piperazinyl]-[4-(3-methylbutylthio)-3-nitrophenyl]methanone IUPAC Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[4-(3-methylbutylsulfanyl)-3-nitrophenyl]methanone Traditional Name: [4-(2-furoyl)piperazino]-[4-(isoamylthio)-3-nitro-phenyl]methanone Formula: C21H25N3O5S MolecularWeight: 431.5053

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)N2CCN(CC2)C(=O)C3=CC=CO3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5S/c1-15(2)7-13-30-19-6-5-16(14-17(19)24(27)28)20(25)22-8-10-23(11-9-22)21(26)18-4-3-12-29-18/h3-6,12,14-15H,7-11,13H2,1-2H3