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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-methyl-piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-4-methyl-piperazine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-methyl-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-methylpiperazine-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)-4-methyl-piperazine-1-carbothioamide Formula: C13H18N4O3S MolecularWeight: 310.37202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O3S/c1-15-5-7-16(8-6-15)13(21)14-11-4-3-10(17(18)19)9-12(11)20-2/h3-4,9H,5-8H2,1-2H3,(H,14,21)