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

Systemtic Name: N-butyl-4-(phenylmethyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-benzylsulfonyl-N-butyl-piperazine-1-carbothioamide CAS Name: N-butyl-4-(phenylmethyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: 4-benzylsulfonyl-N-butylpiperazine-1-carbothioamide Traditional Name: 4-benzylsulfonyl-N-butyl-piperazine-1-carbothioamide Formula: C16H25N3O2S2 MolecularWeight: 355.5186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O2S2/c1-2-3-9-17-16(22)18-10-12-19(13-11-18)23(20,21)14-15-7-5-4-6-8-15/h4-8H,2-3,9-14H2,1H3,(H,17,22)