[4-(3-methylbutylsulfanyl)-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone

Systemtic Name: [4-(3-methylbutylsulfanyl)-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: (4-isopentylsulfanyl-3-nitro-phenyl)-(4-phenylpiperazin-1-yl)methanone CAS Name: [4-(3-methylbutylthio)-3-nitrophenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [4-(3-methylbutylsulfanyl)-3-nitrophenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [4-(isoamylthio)-3-nitro-phenyl]-(4-phenylpiperazino)methanone Formula: C22H27N3O3S MolecularWeight: 413.53308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O3S/c1-17(2)10-15-29-21-9-8-18(16-20(21)25(27)28)22(26)24-13-11-23(12-14-24)19-6-4-3-5-7-19/h3-9,16-17H,10-15H2,1-2H3