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

Systemtic Name: 4-(4-methylphenyl)sulfonyl-N-phenethyl-piperazine-1-carbothioamide Openeye Name: N-phenethyl-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: 4-(4-methylphenyl)sulfonyl-N-phenethyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-methylphenyl)sulfonyl-N-phenethylpiperazine-1-carbothioamide Traditional Name: N-phenethyl-4-tosyl-piperazine-1-carbothioamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C20H25N3O2S2/c1-17-7-9-19(10-8-17)27(24,25)23-15-13-22(14-16-23)20(26)21-12-11-18-5-3-2-4-6-18/h2-10H,11-16H2,1H3,(H,21,26)