N-(2-chloranyl-5-nitro-phenyl)azepane-1-carbothioamide

Systemtic Name: N-(2-chloranyl-5-nitro-phenyl)azepane-1-carbothioamide Openeye Name: N-(2-chloro-5-nitro-phenyl)azepane-1-carbothioamide CAS Name: N-(2-chloro-5-nitrophenyl)-1-azepanecarbothioamide IUPAC Name: N-(2-chloro-5-nitrophenyl)azepane-1-carbothioamide Traditional Name: N-(2-chloro-5-nitro-phenyl)azepane-1-carbothioamide Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O2S/c14-11-6-5-10(17(18)19)9-12(11)15-13(20)16-7-3-1-2-4-8-16/h5-6,9H,1-4,7-8H2,(H,15,20)