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

Systemtic Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-[4-(phenylmethyl)piperazin-1-yl]methanone Openeye Name: (4-benzylpiperazin-1-yl)-[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]methanone CAS Name: [4-[(4-bromophenyl)thio]-3-nitrophenyl]-[4-(phenylmethyl)-1-piperazinyl]methanone IUPAC Name: (4-benzylpiperazin-1-yl)-[4-(4-bromophenyl)sulfanyl-3-nitrophenyl]methanone Traditional Name: (4-benzylpiperazino)-[4-[(4-bromophenyl)thio]-3-nitro-phenyl]methanone Formula: C24H22BrN3O3S MolecularWeight: 512.41878

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C24H22BrN3O3S/c25-20-7-9-21(10-8-20)32-23-11-6-19(16-22(23)28(30)31)24(29)27-14-12-26(13-15-27)17-18-4-2-1-3-5-18/h1-11,16H,12-15,17H2