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

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-phenyl-piperazine-1-carbothioamide Openeye Name: N-phenyl-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-phenyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-phenylpiperazine-1-carbothioamide Traditional Name: N-phenyl-4-tosyl-piperazine-1-carbothioamide Formula: C18H21N3O2S2 MolecularWeight: 375.50824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NC3=CC=CC=C3

InChI

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