N-ethyl-4-(phenylsulfonyl)piperazine-1-carbothioamide

Systemtic Name: N-ethyl-4-(phenylsulfonyl)piperazine-1-carbothioamide Openeye Name: 4-(benzenesulfonyl)-N-ethyl-piperazine-1-carbothioamide CAS Name: 4-(benzenesulfonyl)-N-ethyl-1-piperazinecarbothioamide IUPAC Name: 4-(benzenesulfonyl)-N-ethylpiperazine-1-carbothioamide Traditional Name: 4-besyl-N-ethyl-piperazine-1-carbothioamide Formula: C13H19N3O2S2 MolecularWeight: 313.43886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O2S2/c1-2-14-13(19)15-8-10-16(11-9-15)20(17,18)12-6-4-3-5-7-12/h3-7H,2,8-11H2,1H3,(H,14,19)