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

Systemtic Name: N-butyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide Openeye Name: N-butyl-4-(4-nitrophenyl)sulfonyl-piperazine-1-carbothioamide CAS Name: N-butyl-4-(4-nitrophenyl)sulfonyl-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(4-nitrophenyl)sulfonylpiperazine-1-carbothioamide Traditional Name: N-butyl-4-nosyl-piperazine-1-carbothioamide Formula: C15H22N4O4S2 MolecularWeight: 386.48958

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=S)N1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H22N4O4S2/c1-2-3-8-16-15(24)17-9-11-18(12-10-17)25(22,23)14-6-4-13(5-7-14)19(20)21/h4-7H,2-3,8-12H2,1H3,(H,16,24)