4-(4-butan-2-ylphenyl)sulfonyl-N-(4-chlorophenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(4-chlorophenyl)piperazine-1-carbothioamide Openeye Name: N-(4-chlorophenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(4-chlorophenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(4-butan-2-ylphenyl)sulfonyl-N-(4-chlorophenyl)piperazine-1-carbothioamide Traditional Name: N-(4-chlorophenyl)-4-(4-sec-butylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C21H26ClN3O2S2 MolecularWeight: 452.03304

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2S2/c1-3-16(2)17-4-10-20(11-5-17)29(26,27)25-14-12-24(13-15-25)21(28)23-19-8-6-18(22)7-9-19/h4-11,16H,3,12-15H2,1-2H3,(H,23,28)