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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioylpentanamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]pentanamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]pentanamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]pentanamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]valeramide Formula: C16H21ClN4O3S MolecularWeight: 384.88094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O3S/c1-2-3-4-15(22)18-16(25)20-9-7-19(8-10-20)14-6-5-12(21(23)24)11-13(14)17/h5-6,11H,2-4,7-10H2,1H3,(H,18,22,25)