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

Systemtic Name: N-[4-(2-chloranyl-4-nitro-phenyl)piperazin-1-yl]carbothioylpropanamide Openeye Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]propanamide CAS Name: N-[[4-(2-chloro-4-nitrophenyl)-1-piperazinyl]-sulfanylidenemethyl]propanamide IUPAC Name: N-[4-(2-chloro-4-nitrophenyl)piperazine-1-carbothioyl]propanamide Traditional Name: N-[4-(2-chloro-4-nitro-phenyl)piperazine-1-carbothioyl]propionamide Formula: C14H17ClN4O3S MolecularWeight: 356.82778

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN4O3S/c1-2-13(20)16-14(23)18-7-5-17(6-8-18)12-4-3-10(19(21)22)9-11(12)15/h3-4,9H,2,5-8H2,1H3,(H,16,20,23)