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

Systemtic Name: [4-(3-methylbutylsulfanyl)-3-nitro-phenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Openeye Name: (4-isopentylsulfanyl-3-nitro-phenyl)-[4-(4-nitrophenyl)piperazin-1-yl]methanone CAS Name: [4-(3-methylbutylthio)-3-nitrophenyl]-[4-(4-nitrophenyl)-1-piperazinyl]methanone IUPAC Name: [4-(3-methylbutylsulfanyl)-3-nitrophenyl]-[4-(4-nitrophenyl)piperazin-1-yl]methanone Traditional Name: [4-(isoamylthio)-3-nitro-phenyl]-[4-(4-nitrophenyl)piperazino]methanone Formula: C22H26N4O5S MolecularWeight: 458.53064

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5S/c1-16(2)9-14-32-21-8-3-17(15-20(21)26(30)31)22(27)24-12-10-23(11-13-24)18-4-6-19(7-5-18)25(28)29/h3-8,15-16H,9-14H2,1-2H3