N-(2,5-dimethoxyphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2,5-dimethoxyphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Openeye Name: N-(2,5-dimethoxyphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide CAS Name: N-(2,5-dimethoxyphenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(2,5-dimethoxyphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Traditional Name: N-(2,5-dimethoxyphenyl)-4-[2-(methylthio)phenyl]piperazine-1-carbothioamide Formula: C20H25N3O2S2 MolecularWeight: 403.5614

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

InChI

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