4-methyl-N-(2-nitrophenyl)-1,4-diazepane-1-carbothioamide

Systemtic Name: 4-methyl-N-(2-nitrophenyl)-1,4-diazepane-1-carbothioamide Openeye Name: 4-methyl-N-(2-nitrophenyl)-1,4-diazepane-1-carbothioamide CAS Name: 4-methyl-N-(2-nitrophenyl)-1,4-diazepane-1-carbothioamide IUPAC Name: 4-methyl-N-(2-nitrophenyl)-1,4-diazepane-1-carbothioamide Traditional Name: 4-methyl-N-(2-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=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O2S/c1-15-7-4-8-16(10-9-15)13(20)14-11-5-2-3-6-12(11)17(18)19/h2-3,5-6H,4,7-10H2,1H3,(H,14,20)