N-(4-methylsulfonylphenyl)-4-phenyl-piperazine-1-carbothioamide

Systemtic Name: N-(4-methylsulfonylphenyl)-4-phenyl-piperazine-1-carbothioamide Openeye Name: N-(4-methylsulfonylphenyl)-4-phenyl-piperazine-1-carbothioamide CAS Name: N-(4-methylsulfonylphenyl)-4-phenyl-1-piperazinecarbothioamide IUPAC Name: N-(4-methylsulfonylphenyl)-4-phenylpiperazine-1-carbothioamide Traditional Name: N-(4-mesylphenyl)-4-phenyl-piperazine-1-carbothioamide Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H21N3O2S2/c1-25(22,23)17-9-7-15(8-10-17)19-18(24)21-13-11-20(12-14-21)16-5-3-2-4-6-16/h2-10H,11-14H2,1H3,(H,19,24)