4-(4-chloranyl-2-nitro-phenyl)-N-methyl-piperazine-1-carbothioamide

Systemtic Name: 4-(4-chloranyl-2-nitro-phenyl)-N-methyl-piperazine-1-carbothioamide Openeye Name: 4-(4-chloro-2-nitro-phenyl)-N-methyl-piperazine-1-carbothioamide CAS Name: 4-(4-chloro-2-nitrophenyl)-N-methyl-1-piperazinecarbothioamide IUPAC Name: 4-(4-chloro-2-nitrophenyl)-N-methylpiperazine-1-carbothioamide Traditional Name: 4-(4-chloro-2-nitro-phenyl)-N-methyl-piperazine-1-carbothioamide Formula: C12H15ClN4O2S MolecularWeight: 314.7911

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O2S/c1-14-12(20)16-6-4-15(5-7-16)10-3-2-9(13)8-11(10)17(18)19/h2-3,8H,4-7H2,1H3,(H,14,20)