4-(4-butylphenyl)sulfonyl-N-(3-chloranyl-4-methyl-phenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-butylphenyl)sulfonyl-N-(3-chloranyl-4-methyl-phenyl)piperazine-1-carbothioamide Openeye Name: 4-(4-butylphenyl)sulfonyl-N-(3-chloro-4-methyl-phenyl)piperazine-1-carbothioamide CAS Name: 4-(4-butylphenyl)sulfonyl-N-(3-chloro-4-methylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butylphenyl)sulfonyl-N-(3-chloro-4-methylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(4-butylphenyl)sulfonyl-N-(3-chloro-4-methyl-phenyl)piperazine-1-carbothioamide Formula: C22H28ClN3O2S2 MolecularWeight: 466.05962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)C)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC(=C(C=C3)C)Cl

InChI

InChI=1S/C22H28ClN3O2S2/c1-3-4-5-18-7-10-20(11-8-18)30(27,28)26-14-12-25(13-15-26)22(29)24-19-9-6-17(2)21(23)16-19/h6-11,16H,3-5,12-15H2,1-2H3,(H,24,29)