N-(3-methylsulfanylpropyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-(3-methylsulfanylpropyl)-4-(4-propan-2-ylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-isopropylphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: N-[3-(methylthio)propyl]-4-(4-propan-2-ylphenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(3-methylsulfanylpropyl)-4-(4-propan-2-ylphenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-p-cumenylsulfonyl-piperazine-1-carbothioamide Formula: C18H29N3O2S3 MolecularWeight: 415.63676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O2S3/c1-15(2)16-5-7-17(8-6-16)26(22,23)21-12-10-20(11-13-21)18(24)19-9-4-14-25-3/h5-8,15H,4,9-14H2,1-3H3,(H,19,24)