N-(2-ethylphenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-ethylphenyl)-4-(4-methylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-ethylphenyl)-4-(p-tolylsulfonyl)piperazine-1-carbothioamide CAS Name: N-(2-ethylphenyl)-4-(4-methylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-ethylphenyl)-4-(4-methylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-(2-ethylphenyl)-4-tosyl-piperazine-1-carbothioamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C20H25N3O2S2/c1-3-17-6-4-5-7-19(17)21-20(26)22-12-14-23(15-13-22)27(24,25)18-10-8-16(2)9-11-18/h4-11H,3,12-15H2,1-2H3,(H,21,26)