N-(4-butyl-2-methyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-butyl-2-methyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(4-butyl-2-methyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-(4-butyl-2-methylphenyl)-4-(4-chlorophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(4-butyl-2-methylphenyl)-4-(4-chlorophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(4-butyl-2-methyl-phenyl)-4-(4-chlorophenyl)sulfonyl-piperazine-1-carbothioamide Formula: C22H28ClN3O2S2 MolecularWeight: 466.05962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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