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

Systemtic Name: 4-(2-cyanophenyl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-cyanophenyl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carbothioamide CAS Name: 4-(2-cyanophenyl)sulfonyl-N-(2-ethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-cyanophenyl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-(2-cyanophenyl)sulfonyl-N-(2-ethylphenyl)piperazine-1-carbothioamide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

CCC1=CC=CC=C1NC(=S)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H22N4O2S2/c1-2-16-7-3-5-9-18(16)22-20(27)23-11-13-24(14-12-23)28(25,26)19-10-6-4-8-17(19)15-21/h3-10H,2,11-14H2,1H3,(H,22,27)