4-(4-ethoxyphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide

Systemtic Name: 4-(4-ethoxyphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Openeye Name: 4-(4-ethoxyphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: 4-(4-ethoxyphenyl)sulfonyl-N-[3-(methylthio)propyl]-1-piperazinecarbothioamide IUPAC Name: 4-(4-ethoxyphenyl)sulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: N-[3-(methylthio)propyl]-4-p-phenetylsulfonyl-piperazine-1-carbothioamide Formula: C17H27N3O3S3 MolecularWeight: 417.60958

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCSC

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=S)NCCCSC

InChI

InChI=1S/C17H27N3O3S3/c1-3-23-15-5-7-16(8-6-15)26(21,22)20-12-10-19(11-13-20)17(24)18-9-4-14-25-2/h5-8H,3-4,9-14H2,1-2H3,(H,18,24)