N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioylhexanamide

Systemtic Name: N-[4-(2-chloranyl-6-nitro-phenyl)piperazin-1-yl]carbothioylhexanamide Openeye Name: N-[4-(2-chloro-6-nitro-phenyl)piperazine-1-carbothioyl]hexanamide CAS Name: N-[[4-(2-chloro-6-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[4-(2-chloro-6-nitrophenyl)piperazine-1-carbothioyl]hexanamide Traditional Name: N-[4-(2-chloro-6-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=CC=C2Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCCC(=O)NC(=S)N1CCN(CC1)C2=C(C=CC=C2Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H23ClN4O3S/c1-2-3-4-8-15(23)19-17(26)21-11-9-20(10-12-21)16-13(18)6-5-7-14(16)22(24)25/h5-7H,2-4,8-12H2,1H3,(H,19,23,26)