N-(3-methylphenyl)-4-(3-nitropyridin-2-yl)-1,4-diazepane-1-carbothioamide

Molecular Formula: C₁₈H₂₁N₅O₂S

InChI: InChI=1/C18H21N5O2S/c1-14-5-2-6-15(13-14)20-18(26)22-10-4-9-21(11-12-22)17-16(23(24)25)7-3-8-19-17/h2-3,5-8,13H,4,9-12H2,1H3,(H,20,26)/f/h20H

InChIKey: InChIKey=ZTHLPEMLTHOIFR-UYBDAZJACJ
SMILES: CC1=CC(=CC=C1)NC(=S)N2CCCN(CC2)C3=C(C=CC=N3)[N+](=O)[O-]

Names:
    N-(3-methylphenyl)-4-(3-nitropyridin-2-yl)-1,4-diazepane-1-carbothioamide

Registries:
    PubChem CID 2795868
    PubChem ID 3251553