N-(3-methylsulfanylpropyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methylsulfanylpropyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-(3-methylsulfanylpropyl)-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-[3-(methylthio)propyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-methylsulfanylpropyl)-4-(2,3,5,6-tetramethylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-(2,3,5,6-tetramethylphenyl)sulfonyl-piperazine-1-carbothioamide Formula: C19H31N3O2S3 MolecularWeight: 429.66334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=S)NCCCSC)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)N2CCN(CC2)C(=S)NCCCSC)C)C

InChI

InChI=1S/C19H31N3O2S3/c1-14-13-15(2)17(4)18(16(14)3)27(23,24)22-10-8-21(9-11-22)19(25)20-7-6-12-26-5/h13H,6-12H2,1-5H3,(H,20,25)