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

Systemtic Name: N-(2-methoxy-4-nitro-phenyl)azepane-1-carbothioamide Openeye Name: N-(2-methoxy-4-nitro-phenyl)azepane-1-carbothioamide CAS Name: N-(2-methoxy-4-nitrophenyl)-1-azepanecarbothioamide IUPAC Name: N-(2-methoxy-4-nitrophenyl)azepane-1-carbothioamide Traditional Name: N-(2-methoxy-4-nitro-phenyl)azepane-1-carbothioamide Formula: C14H19N3O3S MolecularWeight: 309.38396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCCCCC2

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC(=S)N2CCCCCC2

InChI

InChI=1S/C14H19N3O3S/c1-20-13-10-11(17(18)19)6-7-12(13)15-14(21)16-8-4-2-3-5-9-16/h6-7,10H,2-5,8-9H2,1H3,(H,15,21)