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

Systemtic Name: N-butyl-4-(4-nitrophenyl)piperazine-1-carbothioamide Openeye Name: N-butyl-4-(4-nitrophenyl)piperazine-1-carbothioamide CAS Name: N-butyl-4-(4-nitrophenyl)-1-piperazinecarbothioamide IUPAC Name: N-butyl-4-(4-nitrophenyl)piperazine-1-carbothioamide Traditional Name: N-butyl-4-(4-nitrophenyl)piperazine-1-carbothioamide Formula: C15H22N4O2S MolecularWeight: 322.42578

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H22N4O2S/c1-2-3-8-16-15(22)18-11-9-17(10-12-18)13-4-6-14(7-5-13)19(20)21/h4-7H,2-3,8-12H2,1H3,(H,16,22)