[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-(4-methylpiperazin-1-yl)methanone

Systemtic Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-(4-methylpiperazin-1-yl)methanone Openeye Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-(4-methylpiperazin-1-yl)methanone CAS Name: [4-[(4-bromophenyl)thio]-3-nitrophenyl]-(4-methyl-1-piperazinyl)methanone IUPAC Name: [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]-(4-methylpiperazin-1-yl)methanone Traditional Name: [4-[(4-bromophenyl)thio]-3-nitro-phenyl]-(4-methylpiperazino)methanone Formula: C18H18BrN3O3S MolecularWeight: 436.32282

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC(=C(C=C2)SC3=CC=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C18H18BrN3O3S/c1-20-8-10-21(11-9-20)18(23)13-2-7-17(16(12-13)22(24)25)26-15-5-3-14(19)4-6-15/h2-7,12H,8-11H2,1H3