N-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-bromophenyl)-4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-bromophenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C17H17BrClN3O2S2 MolecularWeight: 474.82278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=S)NC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCN1C(=S)NC2=CC=C(C=C2)Br)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C17H17BrClN3O2S2/c18-13-1-5-15(6-2-13)20-17(25)21-9-11-22(12-10-21)26(23,24)16-7-3-14(19)4-8-16/h1-8H,9-12H2,(H,20,25)