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

Systemtic Name: 4-(2-methylsulfanylphenyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Openeye Name: 4-(2-methylsulfanylphenyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide CAS Name: 4-[2-(methylthio)phenyl]-N-(2,4,5-trimethylphenyl)-1-piperazinecarbothioamide IUPAC Name: 4-(2-methylsulfanylphenyl)-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Traditional Name: 4-[2-(methylthio)phenyl]-N-(2,4,5-trimethylphenyl)piperazine-1-carbothioamide Formula: C21H27N3S2 MolecularWeight: 385.58918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC)C

Isomeric SMILES

CC1=CC(=C(C=C1C)NC(=S)N2CCN(CC2)C3=CC=CC=C3SC)C

InChI

InChI=1S/C21H27N3S2/c1-15-13-17(3)18(14-16(15)2)22-21(25)24-11-9-23(10-12-24)19-7-5-6-8-20(19)26-4/h5-8,13-14H,9-12H2,1-4H3,(H,22,25)