[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-tert-butylphenyl)methanethione

Systemtic Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-tert-butylphenyl)methanethione Openeye Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-tert-butylphenyl)methanethione CAS Name: [4-(4-bromophenyl)sulfonyl-1-piperazinyl]-(4-tert-butylphenyl)methanethione IUPAC Name: [4-(4-bromophenyl)sulfonylpiperazin-1-yl]-(4-tert-butylphenyl)methanethione Traditional Name: (4-brosylpiperazino)-(4-tert-butylphenyl)methanethione Formula: C21H25BrN2O2S2 MolecularWeight: 481.4694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H25BrN2O2S2/c1-21(2,3)17-6-4-16(5-7-17)20(27)23-12-14-24(15-13-23)28(25,26)19-10-8-18(22)9-11-19/h4-11H,12-15H2,1-3H3