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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioylbutanamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]butanamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]butanamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]butanamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]butyramide Formula: C15H19ClN4O3S MolecularWeight: 370.85436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19ClN4O3S/c1-2-3-14(21)17-15(24)19-8-6-18(7-9-19)13-5-4-11(20(22)23)10-12(13)16/h4-5,10H,2-3,6-9H2,1H3,(H,17,21,24)