4-methyl-N-(4-nitrophenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-methyl-N-(4-nitrophenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-methyl-N-(4-nitrophenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-methyl-N-(4-nitrophenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-methyl-N-(4-nitrophenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-methyl-N-(4-nitrophenyl)-1,4-diazepane-1-carbothioamide Formula: C13H18N4O2S MolecularWeight: 294.37262

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CN1CCCN(CC1)C(=S)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H18N4O2S/c1-15-7-2-8-16(10-9-15)13(20)14-11-3-5-12(6-4-11)17(18)19/h3-6H,2,7-10H2,1H3,(H,14,20)