N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioylhexanamide

Systemtic Name: N-[4-(4-nitro-3-piperidin-1-yl-phenyl)piperazin-1-yl]carbothioylhexanamide Openeye Name: N-[4-[4-nitro-3-(1-piperidyl)phenyl]piperazine-1-carbothioyl]hexanamide CAS Name: N-[[4-[4-nitro-3-(1-piperidinyl)phenyl]-1-piperazinyl]-sulfanylidenemethyl]hexanamide IUPAC Name: N-[4-(4-nitro-3-piperidin-1-ylphenyl)piperazine-1-carbothioyl]hexanamide Traditional Name: N-[4-(4-nitro-3-piperidino-phenyl)piperazine-1-carbothioyl]hexanamide Formula: C22H33N5O3S MolecularWeight: 447.59412

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC(=S)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

Isomeric SMILES

CCCCCC(=O)NC(=S)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])N3CCCCC3

InChI

InChI=1S/C22H33N5O3S/c1-2-3-5-8-21(28)23-22(31)26-15-13-24(14-16-26)18-9-10-19(27(29)30)20(17-18)25-11-6-4-7-12-25/h9-10,17H,2-8,11-16H2,1H3,(H,23,28,31)