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

Systemtic Name: N-(3-methylsulfanylpropyl)-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide CAS Name: N-[3-(methylthio)propyl]-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-(3-methylsulfanylpropyl)piperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-[3-(methylthio)propyl]piperazine-1-carbothioamide Formula: C16H25N3O2S3 MolecularWeight: 387.5836

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCNC(=S)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

CSCCCNC(=S)N1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C16H25N3O2S3/c1-23-13-5-8-17-16(22)18-9-11-19(12-10-18)24(20,21)14-15-6-3-2-4-7-15/h2-4,6-7H,5,8-14H2,1H3,(H,17,22)