[4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone

Systemtic Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Openeye Name: [4-(4-bromophenyl)sulfanyl-3-nitro-phenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone CAS Name: [4-[(4-bromophenyl)thio]-3-nitrophenyl]-[4-(2,3-dimethylphenyl)-1-piperazinyl]methanone IUPAC Name: [4-(4-bromophenyl)sulfanyl-3-nitrophenyl]-[4-(2,3-dimethylphenyl)piperazin-1-yl]methanone Traditional Name: [4-[(4-bromophenyl)thio]-3-nitro-phenyl]-[4-(2,3-dimethylphenyl)piperazino]methanone Formula: C25H24BrN3O3S MolecularWeight: 526.44536

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)Br)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3=CC(=C(C=C3)SC4=CC=C(C=C4)Br)[N+](=O)[O-])C

InChI

InChI=1S/C25H24BrN3O3S/c1-17-4-3-5-22(18(17)2)27-12-14-28(15-13-27)25(30)19-6-11-24(23(16-19)29(31)32)33-21-9-7-20(26)8-10-21/h3-11,16H,12-15H2,1-2H3