4-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)piperazine-1-carbothioamide

Systemtic Name: 4-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)piperazine-1-carbothioamide CAS Name: 4-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(3-chlorophenyl)-N-(4-methylsulfonylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(3-chlorophenyl)-N-(4-mesylphenyl)piperazine-1-carbothioamide Formula: C18H20ClN3O2S2 MolecularWeight: 409.9533

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O2S2/c1-26(23,24)17-7-5-15(6-8-17)20-18(25)22-11-9-21(10-12-22)16-4-2-3-14(19)13-16/h2-8,13H,9-12H2,1H3,(H,20,25)