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

Systemtic Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone Openeye Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-(4-phenylpiperazin-1-yl)methanone CAS Name: [4-[(4-bromophenyl)thio]-3-nitrophenyl]-(4-phenyl-1-piperazinyl)methanone IUPAC Name: [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]-(4-phenylpiperazin-1-yl)methanone Traditional Name: [4-[(4-bromophenyl)thio]-3-nitro-phenyl]-(4-phenylpiperazino)methanone Formula: C23H20BrN3O3S MolecularWeight: 498.3922

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C23H20BrN3O3S/c24-18-7-9-20(10-8-18)31-22-11-6-17(16-21(22)27(29)30)23(28)26-14-12-25(13-15-26)19-4-2-1-3-5-19/h1-11,16H,12-15H2