4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-ethyl-piperazine-1-carbothioamide

Systemtic Name: 4-[2,5-bis(chloranyl)phenyl]sulfonyl-N-ethyl-piperazine-1-carbothioamide Openeye Name: 4-(2,5-dichlorophenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-(2,5-dichlorophenyl)sulfonyl-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(2,5-dichlorophenyl)sulfonyl-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-(2,5-dichlorophenyl)sulfonyl-N-ethyl-piperazine-1-carbothioamide Formula: C13H17Cl2N3O2S2 MolecularWeight: 382.32898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

CCNC(=S)N1CCN(CC1)S(=O)(=O)C2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C13H17Cl2N3O2S2/c1-2-16-13(21)17-5-7-18(8-6-17)22(19,20)12-9-10(14)3-4-11(12)15/h3-4,9H,2,5-8H2,1H3,(H,16,21)