N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioylhexanamide

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioylhexanamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]hexanamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]hexanamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]hexanamide Formula: C17H23ClN4O3S MolecularWeight: 398.90752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CCCCCC(=O)NC(=S)N1CCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C17H23ClN4O3S/c1-2-3-4-5-16(23)19-17(26)21-10-8-20(9-11-21)15-7-6-13(22(24)25)12-14(15)18/h6-7,12H,2-5,8-11H2,1H3,(H,19,23,26)