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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26ClN3O2S2/c1-2-3-4-17-5-11-20(12-6-17)29(26,27)25-15-13-24(14-16-25)21(28)23-19-9-7-18(22)8-10-19/h5-12H,2-4,13-16H2,1H3,(H,23,28)