N-(3-nitrophenyl)azepane-1-carbothioamide

Systemtic Name: N-(3-nitrophenyl)azepane-1-carbothioamide Openeye Name: N-(3-nitrophenyl)azepane-1-carbothioamide CAS Name: N-(3-nitrophenyl)-1-azepanecarbothioamide IUPAC Name: N-(3-nitrophenyl)azepane-1-carbothioamide Traditional Name: N-(3-nitrophenyl)azepane-1-carbothioamide Formula: C13H17N3O2S MolecularWeight: 279.35798

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=S)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O2S/c17-16(18)12-7-5-6-11(10-12)14-13(19)15-8-3-1-2-4-9-15/h5-7,10H,1-4,8-9H2,(H,14,19)