N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(4-chloranyl-2,5-dimethoxy-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Openeye Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide CAS Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(4-chloro-2,5-dimethoxyphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Traditional Name: N-(4-chloro-2,5-dimethoxy-phenyl)-4-[2-(methylthio)phenyl]piperazine-1-carbothioamide Formula: C20H24ClN3O2S2 MolecularWeight: 438.00646

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C3=CC=CC=C3SC)OC)Cl

Isomeric SMILES

COC1=CC(=C(C=C1NC(=S)N2CCN(CC2)C3=CC=CC=C3SC)OC)Cl

InChI

InChI=1S/C20H24ClN3O2S2/c1-25-17-13-15(18(26-2)12-14(17)21)22-20(27)24-10-8-23(9-11-24)16-6-4-5-7-19(16)28-3/h4-7,12-13H,8-11H2,1-3H3,(H,22,27)