N-(3-methylsulfanylpropyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methylsulfanylpropyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-4-(2,4,6-trimethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[3-(methylthio)propyl]-4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-methylsulfanylpropyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: 4-mesitylsulfonyl-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C18H29N3O2S3 MolecularWeight: 415.63676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCCCSC)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)N2CCN(CC2)C(=S)NCCCSC)C

InChI

InChI=1S/C18H29N3O2S3/c1-14-12-15(2)17(16(3)13-14)26(22,23)21-9-7-20(8-10-21)18(24)19-6-5-11-25-4/h12-13H,5-11H2,1-4H3,(H,19,24)