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

Systemtic Name: N-butyl-4-(4-ethanoylphenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: 4-(4-acetylphenyl)sulfonyl-N-butyl-piperazine-1-carbothioamide CAS Name: 4-(4-acetylphenyl)sulfonyl-N-butyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-acetylphenyl)sulfonyl-N-butylpiperazine-1-carbothioamide Traditional Name: 4-(4-acetylphenyl)sulfonyl-N-butyl-piperazine-1-carbothioamide Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O3S2/c1-3-4-9-18-17(24)19-10-12-20(13-11-19)25(22,23)16-7-5-15(6-8-16)14(2)21/h5-8H,3-4,9-13H2,1-2H3,(H,18,24)