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

Systemtic Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone CAS Name: [4-[(4-bromophenyl)thio]-3-nitrophenyl]-[4-(4-methoxyphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]-[4-(4-methoxyphenyl)piperazin-1-yl]methanone Traditional Name: [4-[(4-bromophenyl)thio]-3-nitro-phenyl]-[4-(4-methoxyphenyl)piperazino]methanone Formula: C24H22BrN3O4S MolecularWeight: 528.41818

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C24H22BrN3O4S/c1-32-20-7-5-19(6-8-20)26-12-14-27(15-13-26)24(29)17-2-11-23(22(16-17)28(30)31)33-21-9-3-18(25)4-10-21/h2-11,16H,12-15H2,1H3