N-ethyl-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide

Systemtic Name: N-ethyl-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-ethyl-piperazine-1-carbothioamide CAS Name: N-ethyl-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-ethyl-piperazine-1-carbothioamide Formula: C14H21N3O2S2 MolecularWeight: 327.46544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21N3O2S2/c1-2-15-14(20)16-8-10-17(11-9-16)21(18,19)12-13-6-4-3-5-7-13/h3-7H,2,8-12H2,1H3,(H,15,20)