N-(4-butylphenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-butylphenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-butylphenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(4-butylphenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-butylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-butylphenyl)-4-tosyl-piperazine-1-carbothioamide Formula: C22H29N3O2S2 MolecularWeight: 431.61456

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H29N3O2S2/c1-3-4-5-19-8-10-20(11-9-19)23-22(28)24-14-16-25(17-15-24)29(26,27)21-12-6-18(2)7-13-21/h6-13H,3-5,14-17H2,1-2H3,(H,23,28)