N-(2-chloranyl-5-nitro-phenyl)-4-methyl-piperazine-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)-4-methyl-piperazine-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)-4-methyl-piperazine-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-4-methyl-1-piperazinecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)-4-methylpiperazine-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)-4-methyl-piperazine-1-carbothioamide Formula: C12H15ClN4O2S MolecularWeight: 314.7911

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CN1CCN(CC1)C(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])Cl

InChI

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