N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-1-piperidinecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)piperidine-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)piperidine-1-carbothioamide Formula: C13H17N3O3S MolecularWeight: 295.35738

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCCCC2

InChI

InChI=1S/C13H17N3O3S/c1-19-12-9-10(16(17)18)5-6-11(12)14-13(20)15-7-3-2-4-8-15/h5-6,9H,2-4,7-8H2,1H3,(H,14,20)