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

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21ClN4O3S/c1-2-3-7-14(22)18-16(25)20-10-8-19(9-11-20)15-12(17)5-4-6-13(15)21(23)24/h4-6H,2-3,7-11H2,1H3,(H,18,22,25)