4-[2-nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carbothioamide Openeye Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carbothioamide CAS Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carbothioamide IUPAC Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carbothioamide Traditional Name: 4-[2-nitro-4-(trifluoromethyl)phenyl]-N-phenyl-1,4-diazepane-1-carbothioamide Formula: C19H19F3N4O2S MolecularWeight: 424.43997

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=S)NC2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN(C1)C(=S)NC2=CC=CC=C2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C19H19F3N4O2S/c20-19(21,22)14-7-8-16(17(13-14)26(27)28)24-9-4-10-25(12-11-24)18(29)23-15-5-2-1-3-6-15/h1-3,5-8,13H,4,9-12H2,(H,23,29)