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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)-4-methylsulfonyl-piperazine-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)-4-methylsulfonyl-piperazine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-4-methylsulfonyl-1-piperazinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)-4-methylsulfonylpiperazine-1-carbothioamide Traditional Name: 4-mesyl-N-(2-methoxy-4-nitro-phenyl)piperazine-1-carbothioamide Formula: C13H18N4O5S2 MolecularWeight: 374.43582

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H18N4O5S2/c1-22-12-9-10(17(18)19)3-4-11(12)14-13(23)15-5-7-16(8-6-15)24(2,20)21/h3-4,9H,5-8H2,1-2H3,(H,14,23)