N-(2-methoxy-5-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide

Systemtic Name: N-(2-methoxy-5-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-5-methyl-phenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide CAS Name: N-(2-methoxy-5-methylphenyl)-4-[2-(methylthio)phenyl]-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-5-methylphenyl)-4-(2-methylsulfanylphenyl)piperazine-1-carbothioamide Traditional Name: N-(2-methoxy-5-methyl-phenyl)-4-[2-(methylthio)phenyl]piperazine-1-carbothioamide Formula: C20H25N3OS2 MolecularWeight: 387.562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC

InChI

InChI=1S/C20H25N3OS2/c1-15-8-9-18(24-2)16(14-15)21-20(25)23-12-10-22(11-13-23)17-6-4-5-7-19(17)26-3/h4-9,14H,10-13H2,1-3H3,(H,21,25)